6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid

C8H9FO2 — CID 67238037

IUPAC6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid
SMILESCC1(F)C=CC=CC1C(=O)O
InChIInChI=1S/C8H9FO2/c1-8(9)5-3-2-4-6(8)7(10)11/h2-6H,1H3,(H,10,11)
InChIKeyHYKCFYONJMMKQQ-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.54
Rot. Bonds1

About 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid

6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 67238037) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid
PubChem CID67238037
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid
SMILESCC1(F)C=CC=CC1C(=O)O
InChIInChI=1S/C8H9FO2/c1-8(9)5-3-2-4-6(8)7(10)11/h2-6H,1H3,(H,10,11)
InChIKeyHYKCFYONJMMKQQ-UHFFFAOYSA-N
XLogP1.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-fluoro-6-methylcyclohexa-2,4-diene-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

6-methyl-6-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-diene-1-carboxylic acid
CID 69362107
6-methyl-6-propanoylcyclohexa-2,4-diene-1-carboxylic acid
CID 149363120
6-fluoro-6-nitrocyclohexa-2,4-diene-1-carboxylic acid
CID 87391076
6-ethylsulfanyl-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 70067342
1-hydroxycyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 22292283
6-methyl-6-(1,1,2-trifluoroethylsulfanyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 70068567
4-bromo-6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 150030745
6-(cyclohexen-1-yl)-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 135331838
methyl 6,6-difluorocyclohexa-2,4-diene-1-carboxylate
CID 150388160
6,6-dimethylcyclohexa-2,4-diene-1-carbonyl chloride
CID 19367926
6,6-difluorocyclohexa-2,4-diene-1-carboxamide
CID 150573434
6-sulfanyl-6-sulfocyclohexa-2,4-diene-1-carboxylic acid
CID 150519078

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid (CID 67238037) is 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid is CC1(F)C=CC=CC1C(=O)O.
What is the InChIKey of 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is HYKCFYONJMMKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2/c1-8(9)5-3-2-4-6(8)7(10)11/h2-6H,1H3,(H,10,11).
What are the key properties of 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid?
6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 156.16 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 67238037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).