2,3,5,5-tetrafluorocyclohexa-1,3-diene-1-carboxylic acid

C7H4F4O2 — CID 150624269

IUPAC2,3,5,5-tetrafluorocyclohexa-1,3-diene-1-carboxylic acid
SMILESO=C(O)C1=C(F)C(F)=CC(F)(F)C1
InChIInChI=1S/C7H4F4O2/c8-4-2-7(10,11)1-3(5(4)9)6(12)13/h2H,1H2,(H,12,13)
InChIKeyIWOASNMTSFRSAI-UHFFFAOYSA-N
MW196.10 g/mol
LogP2.19
Rot. Bonds1

About 2,3,5,5-tetrafluorocyclohexa-1,3-diene-1-carboxylic acid

2,3,5,5-tetrafluorocyclohexa-1,3-diene-1-carboxylic acid (PubChem CID 150624269) has the molecular formula C7H4F4O2 and a molecular weight of 196.10 g/mol. Its IUPAC name is 2,3,5,5-tetrafluorocyclohexa-1,3-diene-1-carboxylic acid.

Molecular Properties

Compound Name2,3,5,5-tetrafluorocyclohexa-1,3-diene-1-carboxylic acid
PubChem CID150624269
Molecular FormulaC7H4F4O2
Molecular Weight196.10 g/mol
Exact Mass196.01
IUPAC Name2,3,5,5-tetrafluorocyclohexa-1,3-diene-1-carboxylic acid
SMILESO=C(O)C1=C(F)C(F)=CC(F)(F)C1
InChIInChI=1S/C7H4F4O2/c8-4-2-7(10,11)1-3(5(4)9)6(12)13/h2H,1H2,(H,12,13)
InChIKeyIWOASNMTSFRSAI-UHFFFAOYSA-N
XLogP2.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3,5,5-tetrafluorocyclohexa-1,3-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

5-Methyl-2-(trifluoromethyl)cyclohexa-1,4-diene-1-carboxylic acid
CID 14172448
3,3,4,4-Tetrafluorocyclobutene-1-carboxylic acid
CID 20491399
3,3-Difluoro-2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)prop-2-enoic acid
CID 20511548
5-Fluoro-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid
CID 21098975
4-Fluorocyclohexa-1,3-diene-1-carboxylic acid
CID 21852175
6-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)cyclohexa-1,3-diene-1,2-dicarboxylic acid
CID 22107565
2-Fluorocyclohexa-1,3-diene-1-carboxylic acid
CID 53651240
5-Fluorocyclohexa-1,3-diene-1-carboxylic acid
CID 54353987
3,5,6-Trifluoro-5-hydroxycyclohexa-1,3-diene-1,2-dicarboxylic acid
CID 67647570
2-Ethylidene-4,4,5,5,5-pentafluoropentanoic acid
CID 87338161
6-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)cyclohexa-1,3-diene-1-carboxylic acid
CID 87354564
(2E)-2-ethylidene-4,4,5,5-tetrafluoropentanoic acid
CID 88119213

Frequently Asked Questions

What is the IUPAC name of 2,3,5,5-tetrafluorocyclohexa-1,3-diene-1-carboxylic acid?
The IUPAC name of 2,3,5,5-tetrafluorocyclohexa-1,3-diene-1-carboxylic acid (CID 150624269) is 2,3,5,5-tetrafluorocyclohexa-1,3-diene-1-carboxylic acid.
What is the SMILES notation for 2,3,5,5-tetrafluorocyclohexa-1,3-diene-1-carboxylic acid?
The canonical SMILES for 2,3,5,5-tetrafluorocyclohexa-1,3-diene-1-carboxylic acid is O=C(O)C1=C(F)C(F)=CC(F)(F)C1.
What is the InChIKey of 2,3,5,5-tetrafluorocyclohexa-1,3-diene-1-carboxylic acid?
The InChIKey is IWOASNMTSFRSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4O2/c8-4-2-7(10,11)1-3(5(4)9)6(12)13/h2H,1H2,(H,12,13).
What are the key properties of 2,3,5,5-tetrafluorocyclohexa-1,3-diene-1-carboxylic acid?
2,3,5,5-tetrafluorocyclohexa-1,3-diene-1-carboxylic acid has a molecular weight of 196.10 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,5-tetrafluorocyclohexa-1,3-diene-1-carboxylic acid is sourced from PubChem (CID 150624269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).