(2,2-Difluorocyclopropyl)methanol

C4H6F2OCAS 509072-57-5108.09 g/mol

Open in Covalent MOL file
FFOH
AlcoholAlkyl halide

Properties

Molecular formula
C4H6F2O
Molar mass
108.09 g/mol
Exact mass
108.0387 Da
logP
0.63Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
509072-57-5
SMILES
C1C(C1(F)F)CO
InChIKey
XOLSMTBBIZDHSG-UHFFFAOYSA-N
InChI
InChI=1S/C4H6F2O/c5-4(6)1-3(4)2-7/h3,7H,1-2H2
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C4H7F2O 109.0459
[M + Na]+
[M + Na]+ Calcd for C4H6F2NaO 131.0279
[M − H]−
[M − H]− Calcd for C4H5F2O 107.0314
Elemental analysis
Anal. Calcd for C4H6F2O: C, 44.45; H, 5.60.

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Names and synonyms

1 name
  • 2,2-Difluorocyclopropylmethanol

Work with (2,2-Difluorocyclopropyl)methanol

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

(3,3-Difluorocyclobutyl)methanol681128-39-242 % similar 2,2,3,3-Tetrafluoro-1-propanol76-37-936 % similar (4,4-Difluorocyclohexyl)methanol178312-48-633 % similar 2,2,3,4,4,4-Hexafluorobutan-1-ol382-31-032 % similar 2,2-Difluoroethan-1-ol359-13-732 % similar 2,2-Difluorocyclopropane-1-carboxylic acid107873-03-031 % similar 2-(Hydroxymethyl)-1,3-propanediol4704-94-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,3-Difluorocyclobutanol637031-88-0

Elsewhere

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