2-(difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline

C17H11F5N2O2 — CID 15239037

IUPAC2-(difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline
SMILESCc1cc(-c2cccc(OC(F)(F)F)c2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C17H11F5N2O2/c1-9-5-12(10-3-2-4-11(7-10)26-17(20,21)22)15-13(6-9)24-14(8-23-15)25-16(18)19/h2-8,16H,1H3
InChIKeyDXTGGXXFNJROCK-UHFFFAOYSA-N
MW370.28 g/mol
LogP5.11
Rot. Bonds4

About 2-(difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline

2-(difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline (PubChem CID 15239037) has the molecular formula C17H11F5N2O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 2-(difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline.

Molecular Properties

Compound Name2-(difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline
PubChem CID15239037
Molecular FormulaC17H11F5N2O2
Molecular Weight370.28 g/mol
Exact Mass370.07
IUPAC Name2-(difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline
SMILESCc1cc(-c2cccc(OC(F)(F)F)c2)c2ncc(OC(F)F)nc2c1
InChIInChI=1S/C17H11F5N2O2/c1-9-5-12(10-3-2-4-11(7-10)26-17(20,21)22)15-13(6-9)24-14(8-23-15)25-16(18)19/h2-8,16H,1H3
InChIKeyDXTGGXXFNJROCK-UHFFFAOYSA-N
XLogP5.11
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.28
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline?
The IUPAC name of 2-(difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline (CID 15239037) is 2-(difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline.
What is the SMILES notation for 2-(difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline?
The canonical SMILES for 2-(difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline is Cc1cc(-c2cccc(OC(F)(F)F)c2)c2ncc(OC(F)F)nc2c1.
What is the InChIKey of 2-(difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline?
The InChIKey is DXTGGXXFNJROCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O2/c1-9-5-12(10-3-2-4-11(7-10)26-17(20,21)22)15-13(6-9)24-14(8-23-15)25-16(18)19/h2-8,16H,1H3.
What are the key properties of 2-(difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline?
2-(difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline has a molecular weight of 370.28 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-7-methyl-5-[3-(trifluoromethoxy)phenyl]quinoxaline is sourced from PubChem (CID 15239037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).