Basic information
- CAS
90736-23-5- Standard SMILES
CCC(=O)N(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1- InChIKey
KXUBAVLIJFTASZ-UHFFFAOYSA-N- Molecular formula
- C22H27FN2O
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.21074165
Overview
4-fluorofentanyl is the monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-(4-fluorophenyl)-1-(2-phenylethyl)piperidin-4-amine with propanoic acid. It has a role as an opioid analgesic and a mu-opioid receptor agonist. It is a member of piperidines, a monocarboxylic acid amide, a tertiary amino compound and a member of monofluorobenzenes.
Names & identifiers
- Preferred name
- N-(4-fluorophenyl)-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide
- IUPAC
- N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
- English name
- p-Fluoro Fentanyl
- Molecular formula
- C22H27FN2O
- Molecular weight
- 354.46
Names & synonyms
p-Fluorofentanyl90736-23-54-FluorofentanylI45R05QM0ZDEA No. 9812CHEBI:61074N-(4-Fluorophenyl)-N-(1-(2-phenylethyl)-4-piperidinyl)propanamideN-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamideIDS-NF-003IDS-NF-003(SECT.3)N-(4-Fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidinyl]propanamidePropanamide, N-(4-fluorophenyl)-N-(1-(2-phenylethyl)-4-piperidinyl)-
Show more names
p-Fluoro Fentanylp-Fluorofentanyl solution4-Fluorofentanyl, 4-FF, p-FFp-Fluoro Fentanyl (1.0mg/ml in Methanol)para-Fluoro Fentanyl (1 mg/ml in Methanol)
N-(4-fluorophenyl)-N-(1-(2-phenylethyl)piperidin-4-yl)propanamideRefChem:99019867-478-8Para-fluorofentanylparafluorofentanylN-(4-Fluorophenyl)-N-(1-phenethylpiperidin-4-yl)propionamideDTXSID0048929NCGC00247686-01
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 422
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Fentanyl and Fentanyl-related
DEA Schedule I Controlled Substance -> Opiates
Pharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 103 · 103-105C
- Boiling point
- 479.2 · 479.2±45.0 °C(Predicted)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Controlled Substance, -20°C Freezer
- pka
- 8.91 · 8.91±0.20(Predicted)
- FDA UNII
- 45 R05QM0Z · I45R05QM0Z
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 330 · H330-H300-H310
- Precautionary statements
- 262 · P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300+H310+H330 (50%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationDEA schedule I controlled substance
Hazard Classes and CategoriesAcute Tox. 1 (100%)
Safety data
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H330-H300-H310
- Precautionary statements
- P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
- DEA Controlled Substances
- CSCN: 9812CSA SCH: Schedule INARC: Yes
Chemistry & industry
Applications
UsesFentanyl analog. An opioid receptor. Controlled Substance
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: The monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-(4-fluorophenyl)-1-(2-phenylethyl)piperidin-4-amine with propanoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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