5-fluoro-2-phenyl-4H-3,1-benzoxazine

C14H10FNO — CID 140979559

IUPAC5-fluoro-2-phenyl-4H-3,1-benzoxazine
SMILESFc1cccc2c1COC(c1ccccc1)=N2
InChIInChI=1S/C14H10FNO/c15-12-7-4-8-13-11(12)9-17-14(16-13)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyBQUAMTZQWHAUKD-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.43
Rot. Bonds1

About 5-fluoro-2-phenyl-4H-3,1-benzoxazine

5-fluoro-2-phenyl-4H-3,1-benzoxazine (PubChem CID 140979559) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 5-fluoro-2-phenyl-4H-3,1-benzoxazine.

Molecular Properties

Compound Name5-fluoro-2-phenyl-4H-3,1-benzoxazine
PubChem CID140979559
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name5-fluoro-2-phenyl-4H-3,1-benzoxazine
SMILESFc1cccc2c1COC(c1ccccc1)=N2
InChIInChI=1S/C14H10FNO/c15-12-7-4-8-13-11(12)9-17-14(16-13)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyBQUAMTZQWHAUKD-UHFFFAOYSA-N
XLogP3.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-2-phenyl-4H-3,1-benzoxazine 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 5-fluoro-2-phenyl-4H-3,1-benzoxazine?
The IUPAC name of 5-fluoro-2-phenyl-4H-3,1-benzoxazine (CID 140979559) is 5-fluoro-2-phenyl-4H-3,1-benzoxazine.
What is the SMILES notation for 5-fluoro-2-phenyl-4H-3,1-benzoxazine?
The canonical SMILES for 5-fluoro-2-phenyl-4H-3,1-benzoxazine is Fc1cccc2c1COC(c1ccccc1)=N2.
What is the InChIKey of 5-fluoro-2-phenyl-4H-3,1-benzoxazine?
The InChIKey is BQUAMTZQWHAUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c15-12-7-4-8-13-11(12)9-17-14(16-13)10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 5-fluoro-2-phenyl-4H-3,1-benzoxazine?
5-fluoro-2-phenyl-4H-3,1-benzoxazine has a molecular weight of 227.24 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-phenyl-4H-3,1-benzoxazine is sourced from PubChem (CID 140979559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).