2-fluoro-2H-1,4-benzoxazin-6-amine

C8H7FN2O — CID 174893428

IUPAC2-fluoro-2H-1,4-benzoxazin-6-amine
SMILESNc1ccc2c(c1)N=CC(F)O2
InChIInChI=1S/C8H7FN2O/c9-8-4-11-6-3-5(10)1-2-7(6)12-8/h1-4,8H,10H2
InChIKeyFGSLGQURNONIAW-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.66
Rot. Bonds

About 2-fluoro-2H-1,4-benzoxazin-6-amine

2-fluoro-2H-1,4-benzoxazin-6-amine (PubChem CID 174893428) has the molecular formula C8H7FN2O and a molecular weight of 166.15 g/mol. Its IUPAC name is 2-fluoro-2H-1,4-benzoxazin-6-amine.

Molecular Properties

Compound Name2-fluoro-2H-1,4-benzoxazin-6-amine
PubChem CID174893428
Molecular FormulaC8H7FN2O
Molecular Weight166.15 g/mol
Exact Mass166.05
IUPAC Name2-fluoro-2H-1,4-benzoxazin-6-amine
SMILESNc1ccc2c(c1)N=CC(F)O2
InChIInChI=1S/C8H7FN2O/c9-8-4-11-6-3-5(10)1-2-7(6)12-8/h1-4,8H,10H2
InChIKeyFGSLGQURNONIAW-UHFFFAOYSA-N
XLogP1.66
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2H-1,4-benzoxazin-6-amine?
The IUPAC name of 2-fluoro-2H-1,4-benzoxazin-6-amine (CID 174893428) is 2-fluoro-2H-1,4-benzoxazin-6-amine.
What is the SMILES notation for 2-fluoro-2H-1,4-benzoxazin-6-amine?
The canonical SMILES for 2-fluoro-2H-1,4-benzoxazin-6-amine is Nc1ccc2c(c1)N=CC(F)O2.
What is the InChIKey of 2-fluoro-2H-1,4-benzoxazin-6-amine?
The InChIKey is FGSLGQURNONIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c9-8-4-11-6-3-5(10)1-2-7(6)12-8/h1-4,8H,10H2.
What are the key properties of 2-fluoro-2H-1,4-benzoxazin-6-amine?
2-fluoro-2H-1,4-benzoxazin-6-amine has a molecular weight of 166.15 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2H-1,4-benzoxazin-6-amine is sourced from PubChem (CID 174893428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).