Cyclohexyl trifluoroacetate
Basic information
- CAS
1549-45-7- Standard SMILES
O=C(OC1CCCCC1)C(F)(F)F- InChIKey
MJNDVDVTLSBDLB-UHFFFAOYSA-N- Molecular formula
- C8H11F3O2
- Average molar mass
- 196.17 g/mol
- Monoisotopic mass
- 196.07111408
Names & identifiers
- Preferred name
- Cyclohexyl trifluoroacetate
- IUPAC
- cyclohexyl 2,2,2-trifluoroacetate
- English name
- Trifluoroacetic acid cyclohexyl
- Molecular formula
- C8H11F3O2
- Molecular weight
- 196.17
Names & synonyms
Cyclohexyl trifluoroacetate1549-45-7cyclohexyl 2,2,2-trifluoroacetateTrifluoroacetic acid cyclohexylAcetic acid, trifluoro-, cyclohexyl esterTrifluoroacetic acid, cyclohexyl estercyclohexyltrifluoroacetateCyclohexyl trifluoroacetate #SCHEMBL4425518SCHEMBL27755593DTXSID30333893trifluoro-acetic acid cyclohexyl ester
Show more names
Cyclohexanol trifluoroacetateTrifluoroacetic acid cyclohexyl esterAcetic acid, 2,2,2-trifluoro-, cyclohexyl ester
Database identifiers
- CAS
1549-45-7- PubChem CID
- 519124
- DTXSID
DTXSID30333893- Nikkaji
- J44.180E
Properties
Computed structural properties
- XLogP
- 3
- 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
- 182
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 147.85 °C · 147.85°C (rough estimate)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
Related reactions
3 records
Compound notes
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