2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline

C19H12F4N2O — CID 89309527

IUPAC2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline
SMILESC=Cc1ccc2nc(C(F)(F)C3(c4ccc(F)cc4F)CO3)cnc2c1
InChIInChI=1S/C19H12F4N2O/c1-2-11-3-6-15-16(7-11)24-9-17(25-15)19(22,23)18(10-26-18)13-5-4-12(20)8-14(13)21/h2-9H,1,10H2
InChIKeyHGMLXEVRYDLOFY-UHFFFAOYSA-N
MW360.31 g/mol
LogP4.57
Rot. Bonds4

About 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline

2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline (PubChem CID 89309527) has the molecular formula C19H12F4N2O and a molecular weight of 360.31 g/mol. Its IUPAC name is 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline.

Molecular Properties

Compound Name2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline
PubChem CID89309527
Molecular FormulaC19H12F4N2O
Molecular Weight360.31 g/mol
Exact Mass360.09
IUPAC Name2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline
SMILESC=Cc1ccc2nc(C(F)(F)C3(c4ccc(F)cc4F)CO3)cnc2c1
InChIInChI=1S/C19H12F4N2O/c1-2-11-3-6-15-16(7-11)24-9-17(25-15)19(22,23)18(10-26-18)13-5-4-12(20)8-14(13)21/h2-9H,1,10H2
InChIKeyHGMLXEVRYDLOFY-UHFFFAOYSA-N
XLogP4.57
TPSA38.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline?
The IUPAC name of 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline (CID 89309527) is 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline.
What is the SMILES notation for 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline?
The canonical SMILES for 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline is C=Cc1ccc2nc(C(F)(F)C3(c4ccc(F)cc4F)CO3)cnc2c1.
What is the InChIKey of 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline?
The InChIKey is HGMLXEVRYDLOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N2O/c1-2-11-3-6-15-16(7-11)24-9-17(25-15)19(22,23)18(10-26-18)13-5-4-12(20)8-14(13)21/h2-9H,1,10H2.
What are the key properties of 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline?
2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline has a molecular weight of 360.31 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-6-ethenylquinoxaline is sourced from PubChem (CID 89309527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).