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

C11H11F3IN3O — CID 58304250

IUPAC(4R)-4-(5-amino-2-fluoro-4-iodophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
SMILESC[C@]1(c2cc(N)c(I)cc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C11H11F3IN3O/c1-10(11(13,14)4-19-9(17)18-10)5-2-8(16)7(15)3-6(5)12/h2-3H,4,16H2,1H3,(H2,17,18)/t10-/m1/s1
InChIKeyTVBHXRMDVBEBBU-SNVBAGLBSA-N
MW385.13 g/mol
LogP2.21
Rot. Bonds1

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

(4R)-4-(5-amino-2-fluoro-4-iodophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine (PubChem CID 58304250) has the molecular formula C11H11F3IN3O and a molecular weight of 385.13 g/mol. Its IUPAC name is (4R)-4-(5-amino-2-fluoro-4-iodophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(4R)-4-(5-amino-2-fluoro-4-iodophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
PubChem CID58304250
Molecular FormulaC11H11F3IN3O
Molecular Weight385.13 g/mol
Exact Mass384.99
IUPAC Name(4R)-4-(5-amino-2-fluoro-4-iodophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine
SMILESC[C@]1(c2cc(N)c(I)cc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C11H11F3IN3O/c1-10(11(13,14)4-19-9(17)18-10)5-2-8(16)7(15)3-6(5)12/h2-3H,4,16H2,1H3,(H2,17,18)/t10-/m1/s1
InChIKeyTVBHXRMDVBEBBU-SNVBAGLBSA-N
XLogP2.21
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.13
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(5-amino-2-fluoro-4-iodophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
The IUPAC name of (4R)-4-(5-amino-2-fluoro-4-iodophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine (CID 58304250) is (4R)-4-(5-amino-2-fluoro-4-iodophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine.
What is the SMILES notation for (4R)-4-(5-amino-2-fluoro-4-iodophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
The canonical SMILES for (4R)-4-(5-amino-2-fluoro-4-iodophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine is C[C@]1(c2cc(N)c(I)cc2F)N=C(N)OCC1(F)F.
What is the InChIKey of (4R)-4-(5-amino-2-fluoro-4-iodophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
The InChIKey is TVBHXRMDVBEBBU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11F3IN3O/c1-10(11(13,14)4-19-9(17)18-10)5-2-8(16)7(15)3-6(5)12/h2-3H,4,16H2,1H3,(H2,17,18)/t10-/m1/s1.
What are the key properties of (4R)-4-(5-amino-2-fluoro-4-iodophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine?
(4R)-4-(5-amino-2-fluoro-4-iodophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine has a molecular weight of 385.13 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(5-amino-2-fluoro-4-iodophenyl)-5,5-difluoro-4-methyl-6H-1,3-oxazin-2-amine is sourced from PubChem (CID 58304250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).