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

C11H11F4N3O — CID 67233973

IUPAC4-(5-amino-2,3-difluorophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
SMILESCC1(c2cc(N)cc(F)c2F)N=C(N)OCC1(F)F
InChIInChI=1S/C11H11F4N3O/c1-10(11(14,15)4-19-9(17)18-10)6-2-5(16)3-7(12)8(6)13/h2-3H,4,16H2,1H3,(H2,17,18)
InChIKeyPOXZYYBXADZJAC-UHFFFAOYSA-N
MW277.22 g/mol
LogP1.74
Rot. Bonds1

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

4-(5-amino-2,3-difluorophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine (PubChem CID 67233973) has the molecular formula C11H11F4N3O and a molecular weight of 277.22 g/mol. Its IUPAC name is 4-(5-amino-2,3-difluorophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine.

Molecular Properties

Compound Name4-(5-amino-2,3-difluorophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
PubChem CID67233973
Molecular FormulaC11H11F4N3O
Molecular Weight277.22 g/mol
Exact Mass277.08
IUPAC Name4-(5-amino-2,3-difluorophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
SMILESCC1(c2cc(N)cc(F)c2F)N=C(N)OCC1(F)F
InChIInChI=1S/C11H11F4N3O/c1-10(11(14,15)4-19-9(17)18-10)6-2-5(16)3-7(12)8(6)13/h2-3H,4,16H2,1H3,(H2,17,18)
InChIKeyPOXZYYBXADZJAC-UHFFFAOYSA-N
XLogP1.74
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 51.74
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-2,3-difluorophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
The IUPAC name of 4-(5-amino-2,3-difluorophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine (CID 67233973) is 4-(5-amino-2,3-difluorophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine.
What is the SMILES notation for 4-(5-amino-2,3-difluorophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
The canonical SMILES for 4-(5-amino-2,3-difluorophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine is CC1(c2cc(N)cc(F)c2F)N=C(N)OCC1(F)F.
What is the InChIKey of 4-(5-amino-2,3-difluorophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
The InChIKey is POXZYYBXADZJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N3O/c1-10(11(14,15)4-19-9(17)18-10)6-2-5(16)3-7(12)8(6)13/h2-3H,4,16H2,1H3,(H2,17,18).
What are the key properties of 4-(5-amino-2,3-difluorophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
4-(5-amino-2,3-difluorophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine has a molecular weight of 277.22 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2,3-difluorophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine is sourced from PubChem (CID 67233973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).