8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine

C12H9FN2O — CID 122534926

IUPAC8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine
SMILESNC1=NOCc2c1ccc1cc(F)ccc21
InChIInChI=1S/C12H9FN2O/c13-8-2-4-9-7(5-8)1-3-10-11(9)6-16-15-12(10)14/h1-5H,6H2,(H2,14,15)
InChIKeyGXQCBNWHNQMKGJ-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.13
Rot. Bonds

About 8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine

8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine (PubChem CID 122534926) has the molecular formula C12H9FN2O and a molecular weight of 216.22 g/mol. Its IUPAC name is 8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine.

Molecular Properties

Compound Name8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine
PubChem CID122534926
Molecular FormulaC12H9FN2O
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine
SMILESNC1=NOCc2c1ccc1cc(F)ccc21
InChIInChI=1S/C12H9FN2O/c13-8-2-4-9-7(5-8)1-3-10-11(9)6-16-15-12(10)14/h1-5H,6H2,(H2,14,15)
InChIKeyGXQCBNWHNQMKGJ-UHFFFAOYSA-N
XLogP2.13
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine 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 8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine?
The IUPAC name of 8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine (CID 122534926) is 8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine.
What is the SMILES notation for 8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine?
The canonical SMILES for 8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine is NC1=NOCc2c1ccc1cc(F)ccc21.
What is the InChIKey of 8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine?
The InChIKey is GXQCBNWHNQMKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c13-8-2-4-9-7(5-8)1-3-10-11(9)6-16-15-12(10)14/h1-5H,6H2,(H2,14,15).
What are the key properties of 8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine?
8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine has a molecular weight of 216.22 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1H-benzo[h][2,3]benzoxazin-4-amine is sourced from PubChem (CID 122534926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).