2-(3-fluorofuran-2-yl)-3,1-benzoxazin-4-one

C12H6FNO3 — CID 138966728

IUPAC2-(3-fluorofuran-2-yl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2occc2F)nc2ccccc12
InChIInChI=1S/C12H6FNO3/c13-8-5-6-16-10(8)11-14-9-4-2-1-3-7(9)12(15)17-11/h1-6H
InChIKeyHHFMLUPEUXHQGG-UHFFFAOYSA-N
MW231.18 g/mol
LogP2.59
Rot. Bonds1

About 2-(3-fluorofuran-2-yl)-3,1-benzoxazin-4-one

2-(3-fluorofuran-2-yl)-3,1-benzoxazin-4-one (PubChem CID 138966728) has the molecular formula C12H6FNO3 and a molecular weight of 231.18 g/mol. Its IUPAC name is 2-(3-fluorofuran-2-yl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(3-fluorofuran-2-yl)-3,1-benzoxazin-4-one
PubChem CID138966728
Molecular FormulaC12H6FNO3
Molecular Weight231.18 g/mol
Exact Mass231.03
IUPAC Name2-(3-fluorofuran-2-yl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2occc2F)nc2ccccc12
InChIInChI=1S/C12H6FNO3/c13-8-5-6-16-10(8)11-14-9-4-2-1-3-7(9)12(15)17-11/h1-6H
InChIKeyHHFMLUPEUXHQGG-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 2-(3-fluorofuran-2-yl)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(3-fluorofuran-2-yl)-3,1-benzoxazin-4-one (CID 138966728) is 2-(3-fluorofuran-2-yl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(3-fluorofuran-2-yl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(3-fluorofuran-2-yl)-3,1-benzoxazin-4-one is O=c1oc(-c2occc2F)nc2ccccc12.
What is the InChIKey of 2-(3-fluorofuran-2-yl)-3,1-benzoxazin-4-one?
The InChIKey is HHFMLUPEUXHQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FNO3/c13-8-5-6-16-10(8)11-14-9-4-2-1-3-7(9)12(15)17-11/h1-6H.
What are the key properties of 2-(3-fluorofuran-2-yl)-3,1-benzoxazin-4-one?
2-(3-fluorofuran-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 2-(3-fluorofuran-2-yl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 138966728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).