4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine

C11H13F2N3O — CID 67234451

IUPAC4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
SMILESCC1(c2cccc(N)c2)N=C(N)OCC1(F)F
InChIInChI=1S/C11H13F2N3O/c1-10(7-3-2-4-8(14)5-7)11(12,13)6-17-9(15)16-10/h2-5H,6,14H2,1H3,(H2,15,16)
InChIKeyHLTZKYFVTJRRAW-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.46
Rot. Bonds1

About 4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine

4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine (PubChem CID 67234451) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is 4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine.

Molecular Properties

Compound Name4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
PubChem CID67234451
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
SMILESCC1(c2cccc(N)c2)N=C(N)OCC1(F)F
InChIInChI=1S/C11H13F2N3O/c1-10(7-3-2-4-8(14)5-7)11(12,13)6-17-9(15)16-10/h2-5H,6,14H2,1H3,(H2,15,16)
InChIKeyHLTZKYFVTJRRAW-UHFFFAOYSA-N
XLogP1.46
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.46
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-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
The IUPAC name of 4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine (CID 67234451) is 4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine.
What is the SMILES notation for 4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
The canonical SMILES for 4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine is CC1(c2cccc(N)c2)N=C(N)OCC1(F)F.
What is the InChIKey of 4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
The InChIKey is HLTZKYFVTJRRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c1-10(7-3-2-4-8(14)5-7)11(12,13)6-17-9(15)16-10/h2-5H,6,14H2,1H3,(H2,15,16).
What are the key properties of 4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine has a molecular weight of 241.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine is sourced from PubChem (CID 67234451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).