Basic information
- Standard SMILES
COC1(c2ccc(C(F)(F)F)cc2C=O)CCCCCC1- InChIKey
ALZGUMKSGXUBMU-UHFFFAOYSA-N- Molecular formula
- C16H19F3O2
- Average molar mass
- 300.32 g/mol
- Monoisotopic mass
- 300.13371433
Names & identifiers
- Preferred name
- 2-(1-Methoxycycloheptyl)-5-(trifluoromethyl)benzaldehyde
- IUPAC
- 2-(1-methoxycycloheptyl)-5-(trifluoromethyl)benzaldehyde
Names & synonyms
2-(1-methoxycycloheptyl)-5-(trifluoromethyl)benzaldehydeSCHEMBL1600486DB-2129485-(Trifluoromethyl)-2-(1-methoxycycloheptyl)benzaldehyde949089-46-7
Database identifiers
- PubChem CID
- 58968666
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Related reactions
5 records
Compound notes
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