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

C12H6FNO3 — CID 155926181

IUPAC7-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccco2)nc2cc(F)ccc12
InChIInChI=1S/C12H6FNO3/c13-7-3-4-8-9(6-7)14-11(17-12(8)15)10-2-1-5-16-10/h1-6H
InChIKeyGSXYIFXGTMSNET-UHFFFAOYSA-N
MW231.18 g/mol
LogP2.59
Rot. Bonds1

About 7-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one

7-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one (PubChem CID 155926181) has the molecular formula C12H6FNO3 and a molecular weight of 231.18 g/mol. Its IUPAC name is 7-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name7-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one
PubChem CID155926181
Molecular FormulaC12H6FNO3
Molecular Weight231.18 g/mol
Exact Mass231.03
IUPAC Name7-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccco2)nc2cc(F)ccc12
InChIInChI=1S/C12H6FNO3/c13-7-3-4-8-9(6-7)14-11(17-12(8)15)10-2-1-5-16-10/h1-6H
InChIKeyGSXYIFXGTMSNET-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 7-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one?
The IUPAC name of 7-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one (CID 155926181) is 7-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 7-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one?
The canonical SMILES for 7-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one is O=c1oc(-c2ccco2)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one?
The InChIKey is GSXYIFXGTMSNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FNO3/c13-7-3-4-8-9(6-7)14-11(17-12(8)15)10-2-1-5-16-10/h1-6H.
What are the key properties of 7-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one?
7-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 7-fluoro-2-(furan-2-yl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 155926181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).