Benzenepropanoic acid, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester
Basic information
- CAS
23522-67-0- Standard SMILES
O=C(CCc1ccccc1)OC(C(F)(F)F)C(F)(F)F- InChIKey
HBWNOCIGYPTDGA-UHFFFAOYSA-N- Molecular formula
- C12H10F6O2
- Average molar mass
- 300.2 g/mol
- Monoisotopic mass
- 300.05849853
Names & identifiers
- Preferred name
- Benzenepropanoic acid, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester
- IUPAC
- 1,1,1,3,3,3-hexafluoropropan-2-yl 3-phenylpropanoate
Names & synonyms
23522-67-0Benzenepropanoic acid, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl esterRefChem:3251171,1,1,3,3,3-hexafluoropropan-2-yl 3-phenylpropanoateHBWNOCIGYPTDGA-UHFFFAOYSA-NDTXSID101155685Benzenepropionic acid 1-(trifluoromethyl)-2,2,2-trifluoroethyl ester
Database identifiers
- CAS
23522-67-0- PubChem CID
- 30979342
- DTXSID
DTXSID101155685- Nikkaji
- J2.240.768F
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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