chempirical

4,4-Difluorocyclohexanecarboxylic acid

C7H10F2O2CAS 122665-97-8164.15 g/mol

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Alkyl halideCarboxylic acid

Properties

Molecular formula
C7H10F2O2
Molar mass
164.15 g/mol
Exact mass
164.0649 Da
Melting point
105.9 °C
logP
1.90Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
122665-97-8
SMILES
O=C(O)C1CCC(F)(F)CC1
InChIKey
HYIUDFLDFSIXTR-UHFFFAOYSA-N
InChI
InChI=1S/C7H10F2O2/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H,10,11)

Weigh it out

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

Names and synonyms

6 names
  • Cyclohexanecarboxylic acid, 4,4-difluoro-
  • 4,4-Difluorocyclohexylcarboxylic acid
  • 4,4′-Difluorocyclohexanecarboxylic acid
  • 4,4-Difluorocyclohexanoic acid
  • 4,4-Difluorocyclohexane-1-carboxylic acid
  • 4,4-Difluorocyclohexan-1-carboxylic acid

Work with 4,4-Difluorocyclohexanecarboxylic 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

3,3-Difluorocyclobutanecarboxylic acid107496-54-863 % similar Cyclopentanecarboxylic acid3400-45-160 % similar Cyclobutanecarboxylic acid3721-95-760 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-758 % similar 1,4-Cyclohexanedicarboxylic acid619-81-858 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-958 % similar Cycloheptanecarboxylic acid1460-16-858 % similar Cyclohexanecarboxylic acid98-89-558 % similar

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

Same formula

Ethyl 2,2-difluoropent-4-enoate110482-96-7

Elsewhere

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