6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol

C12H11F2NO — CID 175168163

IUPAC6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol
SMILESNC1(F)CC(c2ccc(F)cc2)=CC=C1O
InChIInChI=1S/C12H11F2NO/c13-10-4-1-8(2-5-10)9-3-6-11(16)12(14,15)7-9/h1-6,16H,7,15H2
InChIKeyUASQDZJBNQDIFQ-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.68
Rot. Bonds1

About 6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol

6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol (PubChem CID 175168163) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol
PubChem CID175168163
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol
SMILESNC1(F)CC(c2ccc(F)cc2)=CC=C1O
InChIInChI=1S/C12H11F2NO/c13-10-4-1-8(2-5-10)9-3-6-11(16)12(14,15)7-9/h1-6,16H,7,15H2
InChIKeyUASQDZJBNQDIFQ-UHFFFAOYSA-N
XLogP2.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol 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 6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol (CID 175168163) is 6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol is NC1(F)CC(c2ccc(F)cc2)=CC=C1O.
What is the InChIKey of 6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is UASQDZJBNQDIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c13-10-4-1-8(2-5-10)9-3-6-11(16)12(14,15)7-9/h1-6,16H,7,15H2.
What are the key properties of 6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol?
6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 223.22 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-fluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 175168163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).