2-(4-fluorophenyl)-3,1-benzoxazin-4-one

C14H8FNO2 — CID 708482

IUPAC2-(4-fluorophenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C14H8FNO2/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(17)18-13/h1-8H
InChIKeyFWPIOVHFUGZTPA-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.99
Rot. Bonds1

About 2-(4-fluorophenyl)-3,1-benzoxazin-4-one

2-(4-fluorophenyl)-3,1-benzoxazin-4-one (PubChem CID 708482) has the molecular formula C14H8FNO2 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3,1-benzoxazin-4-one
PubChem CID708482
Molecular FormulaC14H8FNO2
Molecular Weight241.22 g/mol
Exact Mass241.05
IUPAC Name2-(4-fluorophenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C14H8FNO2/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(17)18-13/h1-8H
InChIKeyFWPIOVHFUGZTPA-UHFFFAOYSA-N
XLogP2.99
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-3,1-benzoxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3,1-benzoxazin-4-one (CID 708482) is 2-(4-fluorophenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3,1-benzoxazin-4-one is O=c1oc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)-3,1-benzoxazin-4-one?
The InChIKey is FWPIOVHFUGZTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(17)18-13/h1-8H.
What are the key properties of 2-(4-fluorophenyl)-3,1-benzoxazin-4-one?
2-(4-fluorophenyl)-3,1-benzoxazin-4-one has a molecular weight of 241.22 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 708482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).