2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone

C16H10F2N2O — CID 114931324

IUPAC2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone
SMILESO=C(Cc1c(F)cccc1F)c1ccc2nccnc2c1
InChIInChI=1S/C16H10F2N2O/c17-12-2-1-3-13(18)11(12)9-16(21)10-4-5-14-15(8-10)20-7-6-19-14/h1-8H,9H2
InChIKeyQVRSCVWELHBTFE-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.33
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone

2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone (PubChem CID 114931324) has the molecular formula C16H10F2N2O and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone
PubChem CID114931324
Molecular FormulaC16H10F2N2O
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone
SMILESO=C(Cc1c(F)cccc1F)c1ccc2nccnc2c1
InChIInChI=1S/C16H10F2N2O/c17-12-2-1-3-13(18)11(12)9-16(21)10-4-5-14-15(8-10)20-7-6-19-14/h1-8H,9H2
InChIKeyQVRSCVWELHBTFE-UHFFFAOYSA-N
XLogP3.33
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone (CID 114931324) is 2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone is O=C(Cc1c(F)cccc1F)c1ccc2nccnc2c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone?
The InChIKey is QVRSCVWELHBTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O/c17-12-2-1-3-13(18)11(12)9-16(21)10-4-5-14-15(8-10)20-7-6-19-14/h1-8H,9H2.
What are the key properties of 2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone?
2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone has a molecular weight of 284.27 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-quinoxalin-6-ylethanone is sourced from PubChem (CID 114931324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).