1-[3-Fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one
Basic information
- CAS
28698-48-8- Standard SMILES
CC(=O)c1ccc(N2CCCCC2)c(F)c1- InChIKey
AOKPJIGYKRAPCQ-UHFFFAOYSA-N- Molecular formula
- C13H16FNO
- Average molar mass
- 221.27 g/mol
- Monoisotopic mass
- 221.1215923
Names & identifiers
- Preferred name
- 1-[3-Fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one
- IUPAC
- 1-(3-fluoro-4-piperidin-1-ylphenyl)ethanone
- English name
- 1-[3-fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one
- Molecular formula
- C13H16FNO
- Molecular weight
- 221.27
Names & synonyms
1-[3-fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one1-(3-fluoro-4-(piperidin-1-yl)phenyl)ethan-1-oneRefChem:423793856-405-51-(3-fluoro-4-piperidin-1-ylphenyl)ethanone28698-48-8Cambridge id 5119006CBDivE_013958MLS000712456CHEMBL1490717DTXSID101320597HMS2677I14
Show more names
Ethanone, 1-[3-fluoro-4-(1-piperidinyl)phenyl]-
DBA69848MFCD00543920SBB0426271-acetyl-3-fluoro-4-piperidylbenzeneAKOS000117546BS-32221SMR000282223CS-0208460
Database identifiers
- CAS
28698-48-8- PubChem CID
- 775592
- DTXSID
DTXSID101320597- ChEMBL
CHEMBL1490717- EC Number
- 856-405-5
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
Solubility12.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 356.6 · 356.6±32.0 °C(Predicted)
- Density
- 1.12 · 1.120±0.06 g/cm3(Predicted)
- pka
- 3.41 · 3.41±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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