Basic information
- Standard SMILES
CCCC1CCC(c2cc(F)c(C(=O)Oc3ccc(CC)c(F)c3)c(F)c2)CC1- InChIKey
WMBGQFHVCCWFCJ-UHFFFAOYSA-N- Molecular formula
- C24H27F3O2
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.19631459
Names & identifiers
- Preferred name
- 4-Ethyl-3-fluorophenyl 2,6-difluoro-4-(4-propylcyclohexyl)benzoate
- IUPAC
- (4-ethyl-3-fluorophenyl) 2,6-difluoro-4-(4-propylcyclohexyl)benzoate
Names & synonyms
4-ethyl-3-fluorophenyl 2,6-difluoro-4-(4-propylcyclohexyl)benzoate3cHdFBzoF2PDTXSID601381784
Database identifiers
- PubChem CID
- 175686105
- DTXSID
DTXSID601381784
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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