6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline

C14H12F2N2 — CID 82156513

IUPAC6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline
SMILESFc1cc2c(cc1F)NC(c1ccccc1)CN2
InChIInChI=1S/C14H12F2N2/c15-10-6-12-13(7-11(10)16)18-14(8-17-12)9-4-2-1-3-5-9/h1-7,14,17-18H,8H2
InChIKeyYVKUZZUJUCTUHL-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.54
Rot. Bonds1

About 6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline

6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline (PubChem CID 82156513) has the molecular formula C14H12F2N2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline
PubChem CID82156513
Molecular FormulaC14H12F2N2
Molecular Weight246.26 g/mol
Exact Mass246.10
IUPAC Name6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline
SMILESFc1cc2c(cc1F)NC(c1ccccc1)CN2
InChIInChI=1S/C14H12F2N2/c15-10-6-12-13(7-11(10)16)18-14(8-17-12)9-4-2-1-3-5-9/h1-7,14,17-18H,8H2
InChIKeyYVKUZZUJUCTUHL-UHFFFAOYSA-N
XLogP3.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline 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 6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline (CID 82156513) is 6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline is Fc1cc2c(cc1F)NC(c1ccccc1)CN2.
What is the InChIKey of 6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is YVKUZZUJUCTUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2/c15-10-6-12-13(7-11(10)16)18-14(8-17-12)9-4-2-1-3-5-9/h1-7,14,17-18H,8H2.
What are the key properties of 6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline?
6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 246.26 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 82156513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).