1,4-difluorocyclohexane-1-carboxylic acid

C7H10F2O2 — CID 141145734

IUPAC1,4-difluorocyclohexane-1-carboxylic acid
SMILESO=C(O)C1(F)CCC(F)CC1
InChIInChI=1S/C7H10F2O2/c8-5-1-3-7(9,4-2-5)6(10)11/h5H,1-4H2,(H,10,11)
InChIKeyAGGNZSPSIIRGHQ-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.69
Rot. Bonds1

About 1,4-difluorocyclohexane-1-carboxylic acid

1,4-difluorocyclohexane-1-carboxylic acid (PubChem CID 141145734) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 1,4-difluorocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1,4-difluorocyclohexane-1-carboxylic acid
PubChem CID141145734
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name1,4-difluorocyclohexane-1-carboxylic acid
SMILESO=C(O)C1(F)CCC(F)CC1
InChIInChI=1S/C7H10F2O2/c8-5-1-3-7(9,4-2-5)6(10)11/h5H,1-4H2,(H,10,11)
InChIKeyAGGNZSPSIIRGHQ-UHFFFAOYSA-N
XLogP1.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,4-difluorocyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-fluorocyclohexane-1-carboxylic acid
CID 71757909
1-fluoro-3,4-dimethylcyclohexane-1-carboxylic acid
CID 89159789
4-fluoro-1-phenylcyclohexane-1-carboxylic acid
CID 83853907
1-cyclopropyl-4-fluoroazepane-4-carboxylic acid
CID 115022243
1-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid;4-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
CID 160522363
4-fluoro-1-(oxan-4-yl)azepane-4-carboxylic acid
CID 115055710
3-fluoro-1-methylcyclohexane-1-carboxylic acid
CID 84764228
1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride
CID 90079651
1-cyclobutyl-3-fluoropiperidine-3-carboxylic acid
CID 115022244
ethane;3-fluoroazetidine-3-carboxylic acid
CID 144523535
carbonyl dichloride;fluorocyclobutane
CID 158358387
trans-(1R,2R)-2-fluoro-1-hydroxycyclopentane-1-carboxylic acid
CID 119094489

Frequently Asked Questions

What is the IUPAC name of 1,4-difluorocyclohexane-1-carboxylic acid?
The IUPAC name of 1,4-difluorocyclohexane-1-carboxylic acid (CID 141145734) is 1,4-difluorocyclohexane-1-carboxylic acid.
What is the SMILES notation for 1,4-difluorocyclohexane-1-carboxylic acid?
The canonical SMILES for 1,4-difluorocyclohexane-1-carboxylic acid is O=C(O)C1(F)CCC(F)CC1.
What is the InChIKey of 1,4-difluorocyclohexane-1-carboxylic acid?
The InChIKey is AGGNZSPSIIRGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c8-5-1-3-7(9,4-2-5)6(10)11/h5H,1-4H2,(H,10,11).
What are the key properties of 1,4-difluorocyclohexane-1-carboxylic acid?
1,4-difluorocyclohexane-1-carboxylic acid has a molecular weight of 164.15 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorocyclohexane-1-carboxylic acid is sourced from PubChem (CID 141145734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).