(1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate
Basic information
- CAS
37847-84-0- Standard SMILES
O=C(OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1Sc1ccccc1- InChIKey
YAWVRLLWBZYJES-UHFFFAOYSA-N- Molecular formula
- C22H14F6O2S
- Average molar mass
- 456.4 g/mol
- Monoisotopic mass
- 456.06186983
Names & identifiers
- Preferred name
- (1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate
- IUPAC
- (1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoate
Names & synonyms
37847-84-0NSC156500(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) 2-phenylsulfanylbenzoateDTXSID60329769NSC-1565001,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl 2-(phenylsulfanyl)benzoateBenzoic acid, 2-(phenylthio)-, 2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl ester+E955
Database identifiers
- CAS
37847-84-0- PubChem CID
- 423683
- DTXSID
DTXSID60329769
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 580
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Compound notes
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