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

C14H7F2NO2 — CID 15938091

IUPAC2-(2,6-difluorophenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2c(F)cccc2F)nc2ccccc12
InChIInChI=1S/C14H7F2NO2/c15-9-5-3-6-10(16)12(9)13-17-11-7-2-1-4-8(11)14(18)19-13/h1-7H
InChIKeyAFQAUSHXKFSFFW-UHFFFAOYSA-N
MW259.21 g/mol
LogP3.13
Rot. Bonds1

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

2-(2,6-difluorophenyl)-3,1-benzoxazin-4-one (PubChem CID 15938091) has the molecular formula C14H7F2NO2 and a molecular weight of 259.21 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-3,1-benzoxazin-4-one
PubChem CID15938091
Molecular FormulaC14H7F2NO2
Molecular Weight259.21 g/mol
Exact Mass259.04
IUPAC Name2-(2,6-difluorophenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2c(F)cccc2F)nc2ccccc12
InChIInChI=1S/C14H7F2NO2/c15-9-5-3-6-10(16)12(9)13-17-11-7-2-1-4-8(11)14(18)19-13/h1-7H
InChIKeyAFQAUSHXKFSFFW-UHFFFAOYSA-N
XLogP3.13
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 53.13
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)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2,6-difluorophenyl)-3,1-benzoxazin-4-one (CID 15938091) is 2-(2,6-difluorophenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-3,1-benzoxazin-4-one is O=c1oc(-c2c(F)cccc2F)nc2ccccc12.
What is the InChIKey of 2-(2,6-difluorophenyl)-3,1-benzoxazin-4-one?
The InChIKey is AFQAUSHXKFSFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2NO2/c15-9-5-3-6-10(16)12(9)13-17-11-7-2-1-4-8(11)14(18)19-13/h1-7H.
What are the key properties of 2-(2,6-difluorophenyl)-3,1-benzoxazin-4-one?
2-(2,6-difluorophenyl)-3,1-benzoxazin-4-one has a molecular weight of 259.21 g/mol, XLogP of 3.13, 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)-3,1-benzoxazin-4-one is sourced from PubChem (CID 15938091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).