6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid

C8H6F4O2 — CID 68661211

IUPAC6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1C=CC=CC1(F)C(F)(F)F
InChIInChI=1S/C8H6F4O2/c9-7(8(10,11)12)4-2-1-3-5(7)6(13)14/h1-5H,(H,13,14)
InChIKeyWACARFQPAOYTJW-UHFFFAOYSA-N
MW210.13 g/mol
LogP2.08
Rot. Bonds1

About 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid

6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 68661211) has the molecular formula C8H6F4O2 and a molecular weight of 210.13 g/mol. Its IUPAC name is 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid
PubChem CID68661211
Molecular FormulaC8H6F4O2
Molecular Weight210.13 g/mol
Exact Mass210.03
IUPAC Name6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1C=CC=CC1(F)C(F)(F)F
InChIInChI=1S/C8H6F4O2/c9-7(8(10,11)12)4-2-1-3-5(7)6(13)14/h1-5H,(H,13,14)
InChIKeyWACARFQPAOYTJW-UHFFFAOYSA-N
XLogP2.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-fluoro-6-(trifluoromethyl)cyclohexa-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

2,3,4,5-Tetrafluorophthalic acid
CID 22392131
(E)-3-methyl-2-(trifluoromethyl)hex-4-enoic acid
CID 134988198
CID 12625522
CID 12625522
Carbonyl benzoic acid
CID 57366870
1-Fluorocyclohexa-2,4-diene-1-carboxylic acid
CID 21264421
1,3,4,5,6-Pentafluorocyclohexa-2,4-diene-1-carboxylic acid
CID 22242321
1-Fluorocyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 22283775
1,3,4,5-Tetrafluorocyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 66658539
6-Fluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 67238037
6-But-3-en-2-yl-2,4,5,6-tetrafluorocyclohexa-2,4-diene-1-carboxylic acid
CID 69049134
6-methyl-6-[(E)-3,3,3-trifluoroprop-1-enyl]cyclohexa-2,4-diene-1-carboxylic acid
CID 69323601
2,3,5,6-Tetrafluoro-6-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 69553967

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid (CID 68661211) is 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid is O=C(O)C1C=CC=CC1(F)C(F)(F)F.
What is the InChIKey of 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is WACARFQPAOYTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O2/c9-7(8(10,11)12)4-2-1-3-5(7)6(13)14/h1-5H,(H,13,14).
What are the key properties of 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid?
6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 210.13 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 68661211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).