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

C4H5F5OCAS 374-40-3164.08 g/mol

Open in Covalent MOL file
HOFFFFF
AlcoholAlkyl 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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

(2S)-1,1,1-Trifluoropropan-2-ol3539-97-752 % similar 1,1,1-Trifluoro-2-propanol374-01-652 % similar 1-(2H-Perfluoropropyl)ethanol2711-81-139 % similar Pinacolyl alcohol464-07-339 % similar 1,1,1,2,2,3,4,5,5,5-Decafluoropentane138495-42-838 % similar 1,1,1,3,3,3-Hexafluoro-2-propanol29463-77-230 % 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

Same formula

1,1,1,2,2-Pentafluoro-3-methoxypropane378-16-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook