4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol

C12H10F2O2 — CID 70274115

IUPAC4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol
SMILESOC1(O)C=CC(c2cccc(F)c2F)=CC1
InChIInChI=1S/C12H10F2O2/c13-10-3-1-2-9(11(10)14)8-4-6-12(15,16)7-5-8/h1-6,15-16H,7H2
InChIKeyLFBZVLWKRQUUKO-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.99
Rot. Bonds1

About 4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol

4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol (PubChem CID 70274115) has the molecular formula C12H10F2O2 and a molecular weight of 224.21 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol
PubChem CID70274115
Molecular FormulaC12H10F2O2
Molecular Weight224.21 g/mol
Exact Mass224.06
IUPAC Name4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol
SMILESOC1(O)C=CC(c2cccc(F)c2F)=CC1
InChIInChI=1S/C12H10F2O2/c13-10-3-1-2-9(11(10)14)8-4-6-12(15,16)7-5-8/h1-6,15-16H,7H2
InChIKeyLFBZVLWKRQUUKO-UHFFFAOYSA-N
XLogP1.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol 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-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol?
The IUPAC name of 4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol (CID 70274115) is 4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol.
What is the SMILES notation for 4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol?
The canonical SMILES for 4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol is OC1(O)C=CC(c2cccc(F)c2F)=CC1.
What is the InChIKey of 4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol?
The InChIKey is LFBZVLWKRQUUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2O2/c13-10-3-1-2-9(11(10)14)8-4-6-12(15,16)7-5-8/h1-6,15-16H,7H2.
What are the key properties of 4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol?
4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol has a molecular weight of 224.21 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)cyclohexa-2,4-diene-1,1-diol is sourced from PubChem (CID 70274115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).