1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-2-ol

C₆H₆F₆OCAS 646-97-9208.10 g/mol

Open in Covalent MOL file

Alcohol Alkene Alkyl halide

Properties

Molecular formula: C₆H₆F₆O
Molar mass: 208.10 g/mol
Exact mass: 208.0323 Da
Density: 1.3345 g/mL (at 20 °C)
Boiling point: 42.8–43 °C (at 68 Torr)
logP: 2.42Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

646-97-9

SMILES

C=CCC(O)(C(F)(F)F)C(F)(F)F

InChIKey

VHSCQANAKTXZTG-UHFFFAOYSA-N

InChI

InChI=1S/C6H6F6O/c1-2-3-4(13,5(7,8)9)6(10,11)12/h2,13H,1,3H2

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names

4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-
4,4-Bis(perfluoromethyl)-4-hydroxy-1-butene
1,1-Bis(trifluoromethyl)-3-buten-1-ol
NSC 309805

Work with 1,1,1-Trifluoro-2-(trifluoromethyl)-4-penten-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

1-(2-Propen-1-yl)cyclohexanol1123-34-838 % similar 4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanoic acid1547-36-035 % similar 4,4-Dimethyl-1-pentene762-62-935 % similar

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

Same formula

3-(1,1,2,3,3,3-Hexafluoropropoxy)-1-propene59158-81-5

Elsewhere

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