2,2,3,3-Tetrafluoro-1,4-butanediol

C4H6F4O2CAS 425-61-6162.08 g/mol

Open in Covalent MOL file
OHFFFFHO
AlcoholAlkyl halide

Properties

Molecular formula
C4H6F4O2
Molar mass
162.08 g/mol
Exact mass
162.0304 Da
logP
0.24Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 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
425-61-6
SMILES
C(C(C(CO)(F)F)(F)F)O
InChIKey
CDZXJJOGDCLNKX-UHFFFAOYSA-N
InChI
InChI=1S/C4H6F4O2/c5-3(6,1-9)4(7,8)2-10/h9-10H,1-2H2

Weigh it out

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Work with 2,2,3,3-Tetrafluoro-1,4-butanediol

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-diol355-74-869 % similar 2,2,3,3,4,4-Hexafluoro-1,5-pentanediol376-90-969 % similar 2,2,3,3,3-Pentafluoropropanol422-05-969 % similar 1H,1H,12H,12H-Perfluoro-1,12-dodecanediol183162-43-865 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8-Tetradecafluoro-1,9-nonanediol203303-01-965 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-1,10-decanediol754-96-165 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-1,8-octanediol90177-96-165 % similar 2,2,3,3,4,4,4-Heptafluorobutanol375-01-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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