5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one

C15H9F2NO3 — CID 118913437

IUPAC5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one
SMILESCOc1ccc(-c2nc3cccc(F)c3c(=O)o2)c(F)c1
InChIInChI=1S/C15H9F2NO3/c1-20-8-5-6-9(11(17)7-8)14-18-12-4-2-3-10(16)13(12)15(19)21-14/h2-7H,1H3
InChIKeyQZPWEFNDSRGOIO-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.14
Rot. Bonds2

About 5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one

5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one (PubChem CID 118913437) has the molecular formula C15H9F2NO3 and a molecular weight of 289.24 g/mol. Its IUPAC name is 5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one
PubChem CID118913437
Molecular FormulaC15H9F2NO3
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one
SMILESCOc1ccc(-c2nc3cccc(F)c3c(=O)o2)c(F)c1
InChIInChI=1S/C15H9F2NO3/c1-20-8-5-6-9(11(17)7-8)14-18-12-4-2-3-10(16)13(12)15(19)21-14/h2-7H,1H3
InChIKeyQZPWEFNDSRGOIO-UHFFFAOYSA-N
XLogP3.14
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one (CID 118913437) is 5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one is COc1ccc(-c2nc3cccc(F)c3c(=O)o2)c(F)c1.
What is the InChIKey of 5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one?
The InChIKey is QZPWEFNDSRGOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO3/c1-20-8-5-6-9(11(17)7-8)14-18-12-4-2-3-10(16)13(12)15(19)21-14/h2-7H,1H3.
What are the key properties of 5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one?
5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one has a molecular weight of 289.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 118913437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).