2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline

C22H12F6N2 — CID 58672272

IUPAC2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline
SMILESFC(F)(F)c1ccc(-c2nc3ccccc3nc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H12F6N2/c23-21(24,25)15-9-5-13(6-10-15)19-20(30-18-4-2-1-3-17(18)29-19)14-7-11-16(12-8-14)22(26,27)28/h1-12H
InChIKeyGCVFCMJENJPSIU-UHFFFAOYSA-N
MW418.34 g/mol
LogP7.00
Rot. Bonds2

About 2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline

2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline (PubChem CID 58672272) has the molecular formula C22H12F6N2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline.

Molecular Properties

Compound Name2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline
PubChem CID58672272
Molecular FormulaC22H12F6N2
Molecular Weight418.34 g/mol
Exact Mass418.09
IUPAC Name2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline
SMILESFC(F)(F)c1ccc(-c2nc3ccccc3nc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H12F6N2/c23-21(24,25)15-9-5-13(6-10-15)19-20(30-18-4-2-1-3-17(18)29-19)14-7-11-16(12-8-14)22(26,27)28/h1-12H
InChIKeyGCVFCMJENJPSIU-UHFFFAOYSA-N
XLogP7.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.34
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 65237
CID 65237
CID 65149
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CID 8412
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CID 606676
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CID 2295348
CID 2295348
CID 11353
CID 11353
CID 74311
CID 74311
CID 677464
CID 677464
CID 69041
CID 69041
CID 87204
CID 87204
CID 9819282
CID 9819282
CID 2813348
CID 2813348

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline?
The IUPAC name of 2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline (CID 58672272) is 2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline.
What is the SMILES notation for 2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline?
The canonical SMILES for 2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline is FC(F)(F)c1ccc(-c2nc3ccccc3nc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline?
The InChIKey is GCVFCMJENJPSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F6N2/c23-21(24,25)15-9-5-13(6-10-15)19-20(30-18-4-2-1-3-17(18)29-19)14-7-11-16(12-8-14)22(26,27)28/h1-12H.
What are the key properties of 2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline?
2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline has a molecular weight of 418.34 g/mol, XLogP of 7.00, 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-(trifluoromethyl)phenyl]quinoxaline is sourced from PubChem (CID 58672272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).