(3,3-Difluorocyclobutyl)methanol

C₅H₈F₂OCAS 681128-39-2122.11 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₅H₈F₂O
Molar mass: 122.11 g/mol
Exact mass: 122.0543 Da
logP: 1.02Crippen 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
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

681128-39-2

SMILES

C1C(CC1(F)F)CO

InChIKey

MDZKTVVUZBIKGI-UHFFFAOYSA-N

InChI

InChI=1S/C5H8F2O/c6-5(7)1-4(2-5)3-8/h4,8H,1-3H2

Weigh it out

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

Work with (3,3-Difluorocyclobutyl)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

(4,4-Difluorocyclohexyl)methanol178312-48-657 % similar 3,3-Difluorocyclobutanol637031-88-045 % similar 2-(Hydroxymethyl)-1,3-propanediol4704-94-344 % similar (3,3-Dimethoxycyclobutyl)methanol175021-11-142 % similar (2,2-Difluorocyclopropyl)methanol509072-57-542 % similar Cyclohexanedimethanol105-08-840 % similar Cyclopropanemethanol2516-33-840 % similar trans-1,4-Cyclohexanedimethanol3236-48-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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