(2,2-Difluorocyclopropyl)methanol

C₄H₆F₂OCAS 509072-57-5108.09 g/mol

Open in Covalent MOL file

Alcohol Alkyl 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Weigh it out

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

Names and synonyms

1 names

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-Hexafluoro-1-butanol382-31-032 % 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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