3,3-Difluorocyclobutanol

C₄H₆F₂OCAS 637031-88-0108.09 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: 0.78Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor16.7% of notifiers
H226 Flammable liquid and vapor33.3% of notifiers
H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

637031-88-0

SMILES

OC1CC(F)(F)C1

InChIKey

BFLCYDVYEGKWSQ-UHFFFAOYSA-N

InChI

InChI=1S/C4H6F2O/c5-4(6)1-3(7)2-4/h3,7H,1-2H2

Weigh it out

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

Names and synonyms

2 names

Cyclobutanol, 3,3-difluoro-
3,3-Difluorocyclobutan-1-ol

Work with 3,3-Difluorocyclobutanol

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-Difluorocyclohexanol22419-35-852 % similar (3,3-Difluorocyclobutyl)methanol681128-39-245 % similar 3,3-Difluorocyclobutanecarboxylic acid107496-54-838 % similar 4-Hydroxy-2,2,6,6-tetramethylpiperidine2403-88-538 % similar 4-(Trifluoromethyl)cyclohexan-1-ol30129-18-138 % similar 3,3-Difluorocyclobutanamine hydrochloride637031-93-738 % similar 2,2-Difluoropropane-1,3-diol428-63-735 % similar 1,3-Difluoro-2-propanol453-13-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2,2-Difluorocyclopropyl)methanol509072-57-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook