2,3-bis(4-fluorophenyl)-5-methylquinoxaline

C21H14F2N2 — CID 5052636

IUPAC2,3-bis(4-fluorophenyl)-5-methylquinoxaline
SMILESCc1cccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C21H14F2N2/c1-13-3-2-4-18-19(13)25-21(15-7-11-17(23)12-8-15)20(24-18)14-5-9-16(22)10-6-14/h2-12H,1H3
InChIKeyYLUGSLHWUGRINM-UHFFFAOYSA-N
MW332.35 g/mol
LogP5.55
Rot. Bonds2

About 2,3-bis(4-fluorophenyl)-5-methylquinoxaline

2,3-bis(4-fluorophenyl)-5-methylquinoxaline (PubChem CID 5052636) has the molecular formula C21H14F2N2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)-5-methylquinoxaline.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)-5-methylquinoxaline
PubChem CID5052636
Molecular FormulaC21H14F2N2
Molecular Weight332.35 g/mol
Exact Mass332.11
IUPAC Name2,3-bis(4-fluorophenyl)-5-methylquinoxaline
SMILESCc1cccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C21H14F2N2/c1-13-3-2-4-18-19(13)25-21(15-7-11-17(23)12-8-15)20(24-18)14-5-9-16(22)10-6-14/h2-12H,1H3
InChIKeyYLUGSLHWUGRINM-UHFFFAOYSA-N
XLogP5.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.35
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-methyl-3-phenylquinoxaline
CID 86730310
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
2,3-bis(4-methylphenyl)quinoxalin-5-amine;ethane
CID 143079513
N-[1-[3-(4-fluorophenyl)-5-methylquinoxalin-2-yl]ethyl]-7H-purin-6-amine
CID 71550309
2-(1-chloroethyl)-5-methyl-3-phenylquinoxaline
CID 89486860
2,3-bis(4-fluorophenyl)pyrido[2,3-b]pyrazine
CID 23738510
2-(5-methyl-3-phenylquinoxalin-2-yl)ethanol
CID 89487150
2-(2,6-dimethylphenyl)-4-(4-fluorophenyl)pyrrolo[3,4-c]quinoline-1,3-dione
CID 102230062
bis(2,3-bis(4-fluorophenyl)-5H-quinoxalin-5-ide);ruthenium(3+)
CID 150299115
2-(5-chloro-2-fluorophenyl)-3-(4-fluorophenyl)quinoxaline
CID 123994326
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
1-(4-fluorophenyl)-8-methylnaphthalene
CID 57338261

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)-5-methylquinoxaline?
The IUPAC name of 2,3-bis(4-fluorophenyl)-5-methylquinoxaline (CID 5052636) is 2,3-bis(4-fluorophenyl)-5-methylquinoxaline.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)-5-methylquinoxaline?
The canonical SMILES for 2,3-bis(4-fluorophenyl)-5-methylquinoxaline is Cc1cccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2,3-bis(4-fluorophenyl)-5-methylquinoxaline?
The InChIKey is YLUGSLHWUGRINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2/c1-13-3-2-4-18-19(13)25-21(15-7-11-17(23)12-8-15)20(24-18)14-5-9-16(22)10-6-14/h2-12H,1H3.
What are the key properties of 2,3-bis(4-fluorophenyl)-5-methylquinoxaline?
2,3-bis(4-fluorophenyl)-5-methylquinoxaline has a molecular weight of 332.35 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-fluorophenyl)-5-methylquinoxaline is sourced from PubChem (CID 5052636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).