3-{[4-(Trifluoromethoxy)phenyl]amino}cyclohex-2-en-1-one
Basic information
- CAS
937605-32-8- Standard SMILES
O=C1C=C(Nc2ccc(OC(F)(F)F)cc2)CCC1- InChIKey
SIDCZORKYMGDDV-UHFFFAOYSA-N- Molecular formula
- C13H12F3NO2
- Average molar mass
- 271.23 g/mol
- Monoisotopic mass
- 271.08201311
Names & identifiers
- Preferred name
- 3-{[4-(Trifluoromethoxy)phenyl]amino}cyclohex-2-en-1-one
- IUPAC
- 3-[4-(trifluoromethoxy)anilino]cyclohex-2-en-1-one
- English name
- 3-((4-(Trifluoromethoxy)phenyl)amino)cyclohex-2-en-1-one
- Molecular formula
- C13H12F3NO2
- Molecular weight
- 271.24
Names & synonyms
937605-32-83-{[4-(trifluoromethoxy)phenyl]amino}cyclohex-2-en-1-one3-((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)CYCLOHEX-2-EN-1-ONE3-[4-(trifluoromethoxy)anilino]cyclohex-2-en-1-oneMFCD00170312DTXSID901199542SBB062013AKOS015994362MS-6296FT1689783-[[4-(Trifluoromethoxy)phenyl]amino]-2-cyclohexen-1-one
Database identifiers
- CAS
937605-32-8- PubChem CID
- 4516689
- DTXSID
DTXSID901199542
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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