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

C14H8FNO2 — CID 709912

IUPAC2-(2-fluorophenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C14H8FNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
InChIKeyUHJQEWLULUOONU-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.99
Rot. Bonds1

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

2-(2-fluorophenyl)-3,1-benzoxazin-4-one (PubChem CID 709912) has the molecular formula C14H8FNO2 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3,1-benzoxazin-4-one
PubChem CID709912
Molecular FormulaC14H8FNO2
Molecular Weight241.22 g/mol
Exact Mass241.05
IUPAC Name2-(2-fluorophenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C14H8FNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
InChIKeyUHJQEWLULUOONU-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-3,1-benzoxazin-4-one (CID 709912) is 2-(2-fluorophenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-3,1-benzoxazin-4-one is O=c1oc(-c2ccccc2F)nc2ccccc12.
What is the InChIKey of 2-(2-fluorophenyl)-3,1-benzoxazin-4-one?
The InChIKey is UHJQEWLULUOONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H.
What are the key properties of 2-(2-fluorophenyl)-3,1-benzoxazin-4-one?
2-(2-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-(2-fluorophenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 709912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).