4-fluorocyclohexane-1-carboxylic acid

C7H11FO2 — CID 11999998

IUPAC4-fluorocyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(F)CC1
InChIInChI=1S/C7H11FO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4H2,(H,9,10)
InChIKeyIUMDEBKXOXPBEX-UHFFFAOYSA-N
MW146.16 g/mol
LogP1.60
Rot. Bonds1

About 4-fluorocyclohexane-1-carboxylic acid

4-fluorocyclohexane-1-carboxylic acid (PubChem CID 11999998) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 4-fluorocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-fluorocyclohexane-1-carboxylic acid
PubChem CID11999998
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name4-fluorocyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(F)CC1
InChIInChI=1S/C7H11FO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4H2,(H,9,10)
InChIKeyIUMDEBKXOXPBEX-UHFFFAOYSA-N
XLogP1.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluorocyclohexane-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

Cyclohexanecarboxylic acid
CID 7413
1,4-Cyclohexanedicarboxylic acid
CID 14106
Cyclohexaneacetic acid
CID 21363
Cyclohexanepropanoic acid
CID 69702
Cyclohexanebutanoic acid
CID 75200
Cyclohexanepentanoic acid
CID 94769
Cyclopentylacetic acid
CID 71606
4-Methylcyclohexanecarboxylic acid
CID 20330
4,4-Difluorocyclohexanecarboxylic acid
CID 2779136
Cyclohexanecarboxylate
CID 168965
(1R)-3-Oxocyclohexane-1-carboxylic acid
CID 12924365
exo-Bicyclo(3.1.0)hexane-6-carboxylic acid
CID 151241

Frequently Asked Questions

What is the IUPAC name of 4-fluorocyclohexane-1-carboxylic acid?
The IUPAC name of 4-fluorocyclohexane-1-carboxylic acid (CID 11999998) is 4-fluorocyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-fluorocyclohexane-1-carboxylic acid?
The canonical SMILES for 4-fluorocyclohexane-1-carboxylic acid is O=C(O)C1CCC(F)CC1.
What is the InChIKey of 4-fluorocyclohexane-1-carboxylic acid?
The InChIKey is IUMDEBKXOXPBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4H2,(H,9,10).
What are the key properties of 4-fluorocyclohexane-1-carboxylic acid?
4-fluorocyclohexane-1-carboxylic acid has a molecular weight of 146.16 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorocyclohexane-1-carboxylic acid is sourced from PubChem (CID 11999998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).