2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline

C20H11ClF2N2 — CID 123994326

IUPAC2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline
SMILESFc1ccc(-c2nc3ccccc3nc2-c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C20H11ClF2N2/c21-13-7-10-16(23)15(11-13)20-19(12-5-8-14(22)9-6-12)24-17-3-1-2-4-18(17)25-20/h1-11H
InChIKeyHVRTWTPYSXSFMF-UHFFFAOYSA-N
MW352.77 g/mol
LogP5.90
Rot. Bonds2

About 2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline

2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline (PubChem CID 123994326) has the molecular formula C20H11ClF2N2 and a molecular weight of 352.77 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline
PubChem CID123994326
Molecular FormulaC20H11ClF2N2
Molecular Weight352.77 g/mol
Exact Mass352.06
IUPAC Name2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline
SMILESFc1ccc(-c2nc3ccccc3nc2-c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C20H11ClF2N2/c21-13-7-10-16(23)15(11-13)20-19(12-5-8-14(22)9-6-12)24-17-3-1-2-4-18(17)25-20/h1-11H
InChIKeyHVRTWTPYSXSFMF-UHFFFAOYSA-N
XLogP5.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.77
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline (CID 123994326) is 2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline is Fc1ccc(-c2nc3ccccc3nc2-c2cc(Cl)ccc2F)cc1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline?
The InChIKey is HVRTWTPYSXSFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF2N2/c21-13-7-10-16(23)15(11-13)20-19(12-5-8-14(22)9-6-12)24-17-3-1-2-4-18(17)25-20/h1-11H.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline?
2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline has a molecular weight of 352.77 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline is sourced from PubChem (CID 123994326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).