3,3,4,4,4-Pentafluoro-2-butanol

C₄H₅F₅OCAS 374-40-3164.08 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₄H₅F₅O
Molar mass: 164.08 g/mol
Exact mass: 164.0261 Da
Density: 1.406 g/mL (at 20 °C)
Boiling point: 84 °C
logP: 1.56Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

374-40-3

SMILES

CC(O)C(F)(F)C(F)(F)F

InChIKey

BUGIAHXXBFVPGW-UHFFFAOYSA-N

InChI

InChI=1S/C4H5F5O/c1-2(10)3(5,6)4(7,8)9/h2,10H,1H3

Weigh it out

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

Names and synonyms

2 names

2-Butanol, 3,3,4,4,4-pentafluoro-
1,1,1,2,2-Pentafluorobutan-3-ol

Work with 3,3,4,4,4-Pentafluoro-2-butanol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1,1-Trifluoro-2-propanol374-01-652 % similar Pinacolyl alcohol464-07-339 % similar 1,1,1,2,2,3,4,5,5,5-Decafluoropentane138495-42-838 % similar 2,2,2-Trifluoro-1,1-ethanediol421-53-430 % similar Hexafluoro-2-propanol920-66-130 % similar

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

Elsewhere

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