2-phenyl-3-(trifluoromethyl)quinoxaline

C30H18F6N4 — CID 139185577

IUPAC2-phenyl-3-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1nc2ccccc2nc1-c1ccccc1.FC(F)(F)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/2C15H9F3N2/c2*16-15(17,18)14-13(10-6-2-1-3-7-10)19-11-8-4-5-9-12(11)20-14/h2*1-9H
InChIKeyNBWQNXGHXLZVPC-UHFFFAOYSA-N
MW548.49 g/mol
LogP8.63
Rot. Bonds2

About 2-phenyl-3-(trifluoromethyl)quinoxaline

2-phenyl-3-(trifluoromethyl)quinoxaline (PubChem CID 139185577) has the molecular formula C30H18F6N4 and a molecular weight of 548.49 g/mol. Its IUPAC name is 2-phenyl-3-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-(trifluoromethyl)quinoxaline
PubChem CID139185577
Molecular FormulaC30H18F6N4
Molecular Weight548.49 g/mol
Exact Mass548.14
IUPAC Name2-phenyl-3-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1nc2ccccc2nc1-c1ccccc1.FC(F)(F)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/2C15H9F3N2/c2*16-15(17,18)14-13(10-6-2-1-3-7-10)19-11-8-4-5-9-12(11)20-14/h2*1-9H
InChIKeyNBWQNXGHXLZVPC-UHFFFAOYSA-N
XLogP8.63
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.49
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-phenyl-3-(trifluoromethyl)quinoxaline (CID 139185577) is 2-phenyl-3-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-phenyl-3-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-phenyl-3-(trifluoromethyl)quinoxaline is FC(F)(F)c1nc2ccccc2nc1-c1ccccc1.FC(F)(F)c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 2-phenyl-3-(trifluoromethyl)quinoxaline?
The InChIKey is NBWQNXGHXLZVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H9F3N2/c2*16-15(17,18)14-13(10-6-2-1-3-7-10)19-11-8-4-5-9-12(11)20-14/h2*1-9H.
What are the key properties of 2-phenyl-3-(trifluoromethyl)quinoxaline?
2-phenyl-3-(trifluoromethyl)quinoxaline has a molecular weight of 548.49 g/mol, XLogP of 8.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 139185577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).