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

C12H6FNO3 — CID 2798373

IUPAC5-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccco2)nc2cccc(F)c12
InChIInChI=1S/C12H6FNO3/c13-7-3-1-4-8-10(7)12(15)17-11(14-8)9-5-2-6-16-9/h1-6H
InChIKeyHOOHVAHOQJKLEC-UHFFFAOYSA-N
MW231.18 g/mol
LogP2.59
Rot. Bonds1

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

5-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one (PubChem CID 2798373) has the molecular formula C12H6FNO3 and a molecular weight of 231.18 g/mol. Its IUPAC name is 5-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one
PubChem CID2798373
Molecular FormulaC12H6FNO3
Molecular Weight231.18 g/mol
Exact Mass231.03
IUPAC Name5-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccco2)nc2cccc(F)c12
InChIInChI=1S/C12H6FNO3/c13-7-3-1-4-8-10(7)12(15)17-11(14-8)9-5-2-6-16-9/h1-6H
InChIKeyHOOHVAHOQJKLEC-UHFFFAOYSA-N
XLogP2.59
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one?
The IUPAC name of 5-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one (CID 2798373) is 5-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one?
The canonical SMILES for 5-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one is O=c1oc(-c2ccco2)nc2cccc(F)c12.
What is the InChIKey of 5-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one?
The InChIKey is HOOHVAHOQJKLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FNO3/c13-7-3-1-4-8-10(7)12(15)17-11(14-8)9-5-2-6-16-9/h1-6H.
What are the key properties of 5-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one?
5-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one has a molecular weight of 231.18 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 2798373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).