7-(difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline

C17H11F5N2O — CID 67835421

IUPAC7-(difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline
SMILESFC(F)OCc1cc(-c2cccc(C(F)(F)F)c2)c2nccnc2c1
InChIInChI=1S/C17H11F5N2O/c18-16(19)25-9-10-6-13(15-14(7-10)23-4-5-24-15)11-2-1-3-12(8-11)17(20,21)22/h1-8,16H,9H2
InChIKeyLHRCORAHFZBTOR-UHFFFAOYSA-N
MW354.28 g/mol
LogP5.05
Rot. Bonds4

About 7-(difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline

7-(difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline (PubChem CID 67835421) has the molecular formula C17H11F5N2O and a molecular weight of 354.28 g/mol. Its IUPAC name is 7-(difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline.

Molecular Properties

Compound Name7-(difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline
PubChem CID67835421
Molecular FormulaC17H11F5N2O
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC Name7-(difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline
SMILESFC(F)OCc1cc(-c2cccc(C(F)(F)F)c2)c2nccnc2c1
InChIInChI=1S/C17H11F5N2O/c18-16(19)25-9-10-6-13(15-14(7-10)23-4-5-24-15)11-2-1-3-12(8-11)17(20,21)22/h1-8,16H,9H2
InChIKeyLHRCORAHFZBTOR-UHFFFAOYSA-N
XLogP5.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.28
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline?
The IUPAC name of 7-(difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline (CID 67835421) is 7-(difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline.
What is the SMILES notation for 7-(difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline?
The canonical SMILES for 7-(difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline is FC(F)OCc1cc(-c2cccc(C(F)(F)F)c2)c2nccnc2c1.
What is the InChIKey of 7-(difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline?
The InChIKey is LHRCORAHFZBTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O/c18-16(19)25-9-10-6-13(15-14(7-10)23-4-5-24-15)11-2-1-3-12(8-11)17(20,21)22/h1-8,16H,9H2.
What are the key properties of 7-(difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline?
7-(difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline has a molecular weight of 354.28 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxymethyl)-5-[3-(trifluoromethyl)phenyl]quinoxaline is sourced from PubChem (CID 67835421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).