5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine

C11H13F2N3O — CID 67608212

IUPAC5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
SMILESNC1=NC(CF)(c2cc(N)ccc2F)COC1
InChIInChI=1S/C11H13F2N3O/c12-5-11(6-17-4-10(15)16-11)8-3-7(14)1-2-9(8)13/h1-3H,4-6,14H2,(H2,15,16)
InChIKeyZNEMANYHKYMRAO-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.96
Rot. Bonds2

About 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine

5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 67608212) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID67608212
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine
SMILESNC1=NC(CF)(c2cc(N)ccc2F)COC1
InChIInChI=1S/C11H13F2N3O/c12-5-11(6-17-4-10(15)16-11)8-3-7(14)1-2-9(8)13/h1-3H,4-6,14H2,(H2,15,16)
InChIKeyZNEMANYHKYMRAO-UHFFFAOYSA-N
XLogP0.96
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-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 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine (CID 67608212) is 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine is NC1=NC(CF)(c2cc(N)ccc2F)COC1.
What is the InChIKey of 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is ZNEMANYHKYMRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c12-5-11(6-17-4-10(15)16-11)8-3-7(14)1-2-9(8)13/h1-3H,4-6,14H2,(H2,15,16).
What are the key properties of 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine?
5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 241.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 67608212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).