2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline

C17H10F6N2O — CID 126509096

IUPAC2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline
SMILESCc1cc(-c2ccc(F)c(C(F)(F)F)c2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C17H10F6N2O/c1-8-4-10(9-2-3-12(18)11(6-9)17(21,22)23)15-13(5-8)25-14(7-24-15)26-16(19)20/h2-7,16H,1H3
InChIKeyHXMDESDOBAKJJU-UHFFFAOYSA-N
MW372.27 g/mol
LogP5.36
Rot. Bonds3

About 2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline

2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline (PubChem CID 126509096) has the molecular formula C17H10F6N2O and a molecular weight of 372.27 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline
PubChem CID126509096
Molecular FormulaC17H10F6N2O
Molecular Weight372.27 g/mol
Exact Mass372.07
IUPAC Name2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline
SMILESCc1cc(-c2ccc(F)c(C(F)(F)F)c2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C17H10F6N2O/c1-8-4-10(9-2-3-12(18)11(6-9)17(21,22)23)15-13(5-8)25-14(7-24-15)26-16(19)20/h2-7,16H,1H3
InChIKeyHXMDESDOBAKJJU-UHFFFAOYSA-N
XLogP5.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.27
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline?
The IUPAC name of 2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline (CID 126509096) is 2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline.
What is the SMILES notation for 2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline?
The canonical SMILES for 2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline is Cc1cc(-c2ccc(F)c(C(F)(F)F)c2)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of 2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline?
The InChIKey is HXMDESDOBAKJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O/c1-8-4-10(9-2-3-12(18)11(6-9)17(21,22)23)15-13(5-8)25-14(7-24-15)26-16(19)20/h2-7,16H,1H3.
What are the key properties of 2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline?
2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline has a molecular weight of 372.27 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline is sourced from PubChem (CID 126509096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).