Basic information
- Standard SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1- InChIKey
SCHLPHPIGQOKEA-SNOASFMESA-N- Molecular formula
- C20H26F2O2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.19008639
Names & identifiers
- Preferred name
- (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl trans-2-(3,4-difluorophenyl)cyclopropanecarboxylate
- IUPAC
- trans-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL814130SCHLPHPIGQOKEA-SNOASFMESA-N(1R, 2S, 5R)-2-isopropyl-5-methylcyclohexyl trans-2-(3,4-difluorophenyl)cyclopropanecarboxylate(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl trans-2-(3,4-difiuorophenyl)cyclopropanecarboxylate(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl trans-2-(3,4-difluorophenyl)cyclopropanecarboxylate
Database identifiers
- PubChem CID
- 9859000
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 453
Related reactions
3 records
Compound notes
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