2-(Pentafluorophenyl)propan-2-ol

C₉H₇F₅OCAS 715-31-1226.15 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₉H₇F₅O
Molar mass: 226.15 g/mol
Exact mass: 226.0417 Da
logP: 2.61Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

715-31-1

SMILES

CC(C)(C1=C(C(=C(C(=C1F)F)F)F)F)O

InChIKey

KGZQNFRUGHFDNR-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F5O/c1-9(2,15)3-4(10)6(12)8(14)7(13)5(3)11/h15H,1-2H3

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Names and synonyms

1 names

2-(Pentafluorophenyl)-2-propanol

Work with 2-(Pentafluorophenyl)propan-2-ol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(4-Fluorophenyl)-2-propanol402-41-539 % similar Perfluorotoluene434-64-039 % similar α1,α1,α4,α4-Tetramethyl-1,4-benzenedimethanol2948-46-138 % similar Heptafluorobenzyl iodide79865-03-535 % similar Hexafluorobenzene392-56-333 % similar 2-Phenyl-2-propanol617-94-733 % similar 2-(2-Fluoropyridin-3-YL)propan-2-OL40247-48-132 % similar 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol2787-79-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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