2-(4-Tert-butylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

HCID 337237

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Basic information

CAS: 22796-15-2
Standard SMILES: CC(C)(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIKey: SFLJPJLXJXMIOY-UHFFFAOYSA-N
Molecular formula: C13H14F6O
Average molar mass: 300.24 g/mol
Monoisotopic mass: 300.09488404

Names & identifiers

Preferred name: 2-(4-Tert-butylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
IUPAC: 2-(4-tert-butylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

Names & synonyms

22796-15-22-(4-tert-butylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol2-(4-(tert-Butyl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-olNSC354413SCHEMBL18671898DTXSID20320070SFLJPJLXJXMIOY-UHFFFAOYSA-N2-[4-(tert-Butyl)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanolNSC-354413SY315434Benzenemethanol, 4-(1,1-dimethylethyl)-.alpha.,.alpha.-bis(trifluoromethyl)-

Database identifiers

CAS: 22796-15-2
PubChem CID: 337237
DTXSID: DTXSID20320070
Nikkaji: J1.482.816H

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 316

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