2-(difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline

C17H11F5N2O2 — CID 126507666

IUPAC2-(difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline
SMILESCOc1cccc(-c2cc(C(F)(F)F)cc3nc(OC(F)F)cnc23)c1
InChIInChI=1S/C17H11F5N2O2/c1-25-11-4-2-3-9(5-11)12-6-10(17(20,21)22)7-13-15(12)23-8-14(24-13)26-16(18)19/h2-8,16H,1H3
InChIKeyHXHSTOLBRQRVLI-UHFFFAOYSA-N
MW370.28 g/mol
LogP4.93
Rot. Bonds4

About 2-(difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline

2-(difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline (PubChem CID 126507666) has the molecular formula C17H11F5N2O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline
PubChem CID126507666
Molecular FormulaC17H11F5N2O2
Molecular Weight370.28 g/mol
Exact Mass370.07
IUPAC Name2-(difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline
SMILESCOc1cccc(-c2cc(C(F)(F)F)cc3nc(OC(F)F)cnc23)c1
InChIInChI=1S/C17H11F5N2O2/c1-25-11-4-2-3-9(5-11)12-6-10(17(20,21)22)7-13-15(12)23-8-14(24-13)26-16(18)19/h2-8,16H,1H3
InChIKeyHXHSTOLBRQRVLI-UHFFFAOYSA-N
XLogP4.93
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-(difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline (CID 126507666) is 2-(difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-(difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-(difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline is COc1cccc(-c2cc(C(F)(F)F)cc3nc(OC(F)F)cnc23)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline?
The InChIKey is HXHSTOLBRQRVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O2/c1-25-11-4-2-3-9(5-11)12-6-10(17(20,21)22)7-13-15(12)23-8-14(24-13)26-16(18)19/h2-8,16H,1H3.
What are the key properties of 2-(difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline?
2-(difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline has a molecular weight of 370.28 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-(3-methoxyphenyl)-7-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 126507666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).