4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine

C13H16F3N3O — CID 67234189

IUPAC4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine
SMILESCC1(C)OC(N)=NC(C)(c2cc(N)ccc2F)C1(F)F
InChIInChI=1S/C13H16F3N3O/c1-11(2)13(15,16)12(3,19-10(18)20-11)8-6-7(17)4-5-9(8)14/h4-6H,17H2,1-3H3,(H2,18,19)
InChIKeyCIHUYDSAZXEMCO-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.38
Rot. Bonds1

About 4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine

4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine (PubChem CID 67234189) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine.

Molecular Properties

Compound Name4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine
PubChem CID67234189
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine
SMILESCC1(C)OC(N)=NC(C)(c2cc(N)ccc2F)C1(F)F
InChIInChI=1S/C13H16F3N3O/c1-11(2)13(15,16)12(3,19-10(18)20-11)8-6-7(17)4-5-9(8)14/h4-6H,17H2,1-3H3,(H2,18,19)
InChIKeyCIHUYDSAZXEMCO-UHFFFAOYSA-N
XLogP2.38
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine?
The IUPAC name of 4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine (CID 67234189) is 4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine.
What is the SMILES notation for 4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine?
The canonical SMILES for 4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine is CC1(C)OC(N)=NC(C)(c2cc(N)ccc2F)C1(F)F.
What is the InChIKey of 4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine?
The InChIKey is CIHUYDSAZXEMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-11(2)13(15,16)12(3,19-10(18)20-11)8-6-7(17)4-5-9(8)14/h4-6H,17H2,1-3H3,(H2,18,19).
What are the key properties of 4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine?
4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine has a molecular weight of 287.29 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-fluorophenyl)-5,5-difluoro-4,6,6-trimethyl-1,3-oxazin-2-amine is sourced from PubChem (CID 67234189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).