Basic information
- Standard SMILES
COC(=O)c1ccc(CC2CCCCC2)c(C(F)(F)F)c1- InChIKey
QHCMMOODTMRHCH-UHFFFAOYSA-N- Molecular formula
- C16H19F3O2
- Average molar mass
- 300.32 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(cyclohexylmethyl)-3-(trifluoromethyl)benzoate
- IUPAC
- methyl 4-(cyclohexylmethyl)-3-(trifluoromethyl)benzoate
Names & synonyms
methyl 4-(cyclohexylmethyl)-3-(trifluoromethyl)benzoateSCHEMBL1919797DB-1841394-(Cyclohexylmethyl)-3-(trifluoromethyl)benzoic acid methyl ester1206124-73-3
Database identifiers
- PubChem CID
- 67211598
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Related reactions
10 records
Compound notes
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