Basic information
- Standard SMILES
CCCCCCCC1CCC(c2ccc(C(=O)OC3CCC(OC)C(F)C3)c(F)c2)CC1- InChIKey
NFJKNSNWAVBVBT-UHFFFAOYSA-N- Molecular formula
- C27H40F2O3
- Average molar mass
- 450.6 g/mol
- Monoisotopic mass
- 450.29455146
Names & identifiers
- Preferred name
- 3-Fluoro-4-methoxycyclohexyl 2-fluoro-4-(4-heptylcyclohexyl)benzoate
- IUPAC
- (3-fluoro-4-methoxycyclohexyl) 2-fluoro-4-(4-heptylcyclohexyl)benzoate
Names & synonyms
3-fluoro-4-methoxycyclohexyl 2-fluoro-4-(4-heptylcyclohexyl)benzoate7cHFBzoFMeOcHDTXSID701381806
Database identifiers
- PubChem CID
- 175685502
- DTXSID
DTXSID701381806
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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