(1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate
Basic information
- CAS
57633-50-8- Standard SMILES
O=C(OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1- InChIKey
YSZVMBFQPSGXBE-UHFFFAOYSA-N- Molecular formula
- C16H9ClF6O2
- Average molar mass
- 382.68 g/mol
- Monoisotopic mass
- 382.0195262
Names & identifiers
- Preferred name
- (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate
- IUPAC
- (1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoate
Names & synonyms
57633-50-8(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) 4-chlorobenzoateNSC354414SCHEMBL9644867DTXSID80320071YSZVMBFQPSGXBE-UHFFFAOYSA-NNSC-3544141,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl 4-chlorobenzoateBenzoic acid, 4-chloro-, 2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl ester
Database identifiers
- CAS
57633-50-8- PubChem CID
- 337238
- DTXSID
DTXSID80320071
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 448
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Compound notes
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