1-(4-Methoxyphenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone
Basic information
- CAS
477334-17-1- Standard SMILES
COc1ccc(C(=O)CCNc2ccc(C(F)(F)F)cc2)cc1- InChIKey
DDYIUSAOZYMJHN-UHFFFAOYSA-N- Molecular formula
- C17H16F3NO2
- Average molar mass
- 323.31 g/mol
- Monoisotopic mass
- 323.11331324
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone
- IUPAC
- 1-(4-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propan-1-one
Names & synonyms
477334-17-11-(4-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]-1-propanone1-(4-METHOXYPHENYL)-3-(4-(TRIFLUOROMETHYL)ANILINO)-1-PROPANONERefChem:425764649-974-41-(4-methoxyphenyl)-3-{[4-(trifluoromethyl)phenyl]amino}propan-1-one1-(4-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propan-1-oneCHEMBL4585620AKOS005108630JS-2554
Database identifiers
- CAS
477334-17-1- PubChem CID
- 4123963
- ChEMBL
CHEMBL4585620- EC Number
- 649-974-4
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 371
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, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…