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

C7H7FO4 — CID 20843246

IUPAC4-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1(O)C=CC(F)=CC1O
InChIInChI=1S/C7H7FO4/c8-4-1-2-7(12,6(10)11)5(9)3-4/h1-3,5,9,12H,(H,10,11)
InChIKeyRYKXNMUZCDQGJN-UHFFFAOYSA-N
MW174.13 g/mol
LogP-0.41
Rot. Bonds1

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

4-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 20843246) has the molecular formula C7H7FO4 and a molecular weight of 174.13 g/mol. Its IUPAC name is 4-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
PubChem CID20843246
Molecular FormulaC7H7FO4
Molecular Weight174.13 g/mol
Exact Mass174.03
IUPAC Name4-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1(O)C=CC(F)=CC1O
InChIInChI=1S/C7H7FO4/c8-4-1-2-7(12,6(10)11)5(9)3-4/h1-3,5,9,12H,(H,10,11)
InChIKeyRYKXNMUZCDQGJN-UHFFFAOYSA-N
XLogP-0.41
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-1,6-dihydroxycyclohexa-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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 4-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid (CID 20843246) is 4-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 4-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid is O=C(O)C1(O)C=CC(F)=CC1O.
What is the InChIKey of 4-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is RYKXNMUZCDQGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO4/c8-4-1-2-7(12,6(10)11)5(9)3-4/h1-3,5,9,12H,(H,10,11).
What are the key properties of 4-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid?
4-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 174.13 g/mol, XLogP of -0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 20843246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).