Basic information
- Standard SMILES
CC1=C(C)CC(OC(=O)[C@H]2[C@@H](/C=C(\Cl)C(F)(F)F)C2(C)C)C1- InChIKey
FSOYJGVDNGFVEF-DTUFIANYSA-N- Molecular formula
- C16H20ClF3O2
- Average molar mass
- 336.77 g/mol
- Monoisotopic mass
- 336.1103921
Names & identifiers
- Preferred name
- 3,4-dimethyl-3-cyclopenten-1-yl (1RS)-cis-3-(Z-2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate
- IUPAC
- trans-(3,4-dimethylcyclopent-3-en-1-yl) (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Names & synonyms
3,4-dimethyl-3-cyclopenten-1-yl (1RS)-cis-3-(Z-2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate
Database identifiers
- PubChem CID
- 86754274
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 532
Related reactions
1 records
Compound notes
Loading…