2,2,3,3,4,4-Hexafluoro-1,5-pentanediol

C₅H₆F₆O₂CAS 376-90-9212.09 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₅H₆F₆O₂
Molar mass: 212.09 g/mol
Exact mass: 212.0272 Da
Melting point: 77.5 °C
Boiling point: 111.5 °C (at 10 Torr)
logP: 0.88Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed97.9% of notifiers
H315 Causes skin irritation17% of notifiers
H319 Causes serious eye irritation17% of notifiers
H335 May cause respiratory irritation14.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

376-90-9

SMILES

OCC(F)(F)C(F)(F)C(F)(F)CO

InChIKey

IELVMUPSWDZWSD-UHFFFAOYSA-N

InChI

InChI=1S/C5H6F6O2/c6-3(7,1-12)5(10,11)4(8,9)2-13/h12-13H,1-2H2

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

Names and synonyms

4 names

1,5-Pentanediol, 2,2,3,3,4,4-hexafluoro-
Hexafluoroamylene glycol
2,2,3,3,4,4-Hexafluoropentanediol
NSC 29196

Work with 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol

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

2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol355-74-888 % similar 1H,1H,12H,12H-Perfluoro-1,12-dodecanediol183162-43-882 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8-Tetradecafluoro-1,9-nonanediol203303-01-982 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol754-96-182 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-1,8-octanediol90177-96-182 % similar 2,2,3,3,4,4,4-Heptafluorobutanol375-01-974 % similar 2,2,3,3-Tetrafluoro-1,4-butanediol425-61-669 % similar 1H,1H-Perfluoro-1-tetradecanol15622-57-867 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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