chempirical

3,3-Difluorocyclobutanecarboxylic acid

C5H6F2O2CAS 107496-54-8136.10 g/mol

Open in Covalent MOL file
FFOOH
Alkyl halideCarboxylic acid

Properties

Molecular formula
C5H6F2O2
Molar mass
136.10 g/mol
Exact mass
136.0336 Da
logP
1.12Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
107496-54-8
SMILES
C1C(CC1(F)F)C(=O)O
InChIKey
PLRCVBKYFLWAAT-UHFFFAOYSA-N
InChI
InChI=1S/C5H6F2O2/c6-5(7)1-3(2-5)4(8)9/h3H,1-2H2,(H,8,9)

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Names and synonyms

1 names
  • 3,3-Difluorocyclobutane-1-carboxylic acid

Work with 3,3-Difluorocyclobutanecarboxylic acid

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-Difluorocyclohexanecarboxylic acid122665-97-863 % similar Cyclopentanecarboxylic acid3400-45-152 % similar Cyclobutanecarboxylic acid3721-95-752 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-750 % similar 2,2-Difluorocyclopropane-1-carboxylic acid107873-03-050 % similar 4-(Trifluoromethyl)cyclohexanecarboxylic acid133261-33-350 % similar Cycloheptanecarboxylic acid1460-16-850 % similar 1,4-Cyclohexanedicarboxylic acid619-81-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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