2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one

C15H9F2NO2 — CID 21262472

IUPAC2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one
SMILESCc1ccc2nc(-c3c(F)cccc3F)oc(=O)c2c1
InChIInChI=1S/C15H9F2NO2/c1-8-5-6-12-9(7-8)15(19)20-14(18-12)13-10(16)3-2-4-11(13)17/h2-7H,1H3
InChIKeyHOKINANPURZKIH-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.44
Rot. Bonds1

About 2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one

2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one (PubChem CID 21262472) has the molecular formula C15H9F2NO2 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one
PubChem CID21262472
Molecular FormulaC15H9F2NO2
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one
SMILESCc1ccc2nc(-c3c(F)cccc3F)oc(=O)c2c1
InChIInChI=1S/C15H9F2NO2/c1-8-5-6-12-9(7-8)15(19)20-14(18-12)13-10(16)3-2-4-11(13)17/h2-7H,1H3
InChIKeyHOKINANPURZKIH-UHFFFAOYSA-N
XLogP3.44
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.44
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)-6-methyl-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one (CID 21262472) is 2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one is Cc1ccc2nc(-c3c(F)cccc3F)oc(=O)c2c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one?
The InChIKey is HOKINANPURZKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO2/c1-8-5-6-12-9(7-8)15(19)20-14(18-12)13-10(16)3-2-4-11(13)17/h2-7H,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one?
2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one has a molecular weight of 273.24 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-6-methyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 21262472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).