Basic information
- Standard SMILES
O=CC1CCCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)CC1- InChIKey
AMQHSBHIQQIDTD-UHFFFAOYSA-N- Molecular formula
- C16H17F6NO
- Average molar mass
- 353.3 g/mol
Names & identifiers
- Preferred name
- 1-[2,4-Bis(trifluoromethyl)benzyl]azepane-4-carbaldehyde
- IUPAC
- 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]azepane-4-carbaldehyde
Names & synonyms
1-[2,4-bis(trifluoromethyl)benzyl]azepane-4-carbaldehydeSCHEMBL14676544
Database identifiers
- PubChem CID
- 86678741
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 422
Related reactions
3 records
Compound notes
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