Acetic acid, trifluoro-, 2-cyclohexen-1-yl ester
Basic information
- CAS
64487-54-3- Standard SMILES
O=C(OC1C=CCCC1)C(F)(F)F- InChIKey
VAICZUCQOUOECB-UHFFFAOYSA-N- Molecular formula
- C8H9F3O2
- Average molar mass
- 194.15 g/mol
- Monoisotopic mass
- 194.05546401
Names & identifiers
- Preferred name
- Acetic acid, trifluoro-, 2-cyclohexen-1-yl ester
- IUPAC
- cyclohex-2-en-1-yl 2,2,2-trifluoroacetate
Names & synonyms
Acetic acid, trifluoro-, 2-cyclohexen-1-yl ester64487-54-3DTXSID70435623RefChem:316730DTXCID70386449Cyclohex-2-en-1-yl trifluoroacetate
Database identifiers
- CAS
64487-54-3- PubChem CID
- 10104074
- DTXSID
DTXSID70435623- Nikkaji
- J2.019.977F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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