chempirical

(3,3-Difluorocyclobutyl)methanol

C5H8F2OCAS 681128-39-2122.11 g/mol

Open in Covalent MOL file
FFOH
AlcoholAlkyl 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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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