(4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine

C13H15F3N2O — CID 118441038

IUPAC(4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
SMILESC[C@@H](F)[C@H]1OC(N)=N[C@](C)(c2ccccc2F)[C@H]1F
InChIInChI=1S/C13H15F3N2O/c1-7(14)10-11(16)13(2,18-12(17)19-10)8-5-3-4-6-9(8)15/h3-7,10-11H,1-2H3,(H2,17,18)/t7-,10-,11+,13-/m1/s1
InChIKeyPAAIOVZLSNWGKM-DRYIUFOISA-N
MW272.27 g/mol
LogP2.45
Rot. Bonds2

About (4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine

(4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine (PubChem CID 118441038) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is (4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
PubChem CID118441038
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name(4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
SMILESC[C@@H](F)[C@H]1OC(N)=N[C@](C)(c2ccccc2F)[C@H]1F
InChIInChI=1S/C13H15F3N2O/c1-7(14)10-11(16)13(2,18-12(17)19-10)8-5-3-4-6-9(8)15/h3-7,10-11H,1-2H3,(H2,17,18)/t7-,10-,11+,13-/m1/s1
InChIKeyPAAIOVZLSNWGKM-DRYIUFOISA-N
XLogP2.45
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-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 (4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine?
The IUPAC name of (4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine (CID 118441038) is (4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine.
What is the SMILES notation for (4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine?
The canonical SMILES for (4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine is C[C@@H](F)[C@H]1OC(N)=N[C@](C)(c2ccccc2F)[C@H]1F.
What is the InChIKey of (4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine?
The InChIKey is PAAIOVZLSNWGKM-DRYIUFOISA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-7(14)10-11(16)13(2,18-12(17)19-10)8-5-3-4-6-9(8)15/h3-7,10-11H,1-2H3,(H2,17,18)/t7-,10-,11+,13-/m1/s1.
What are the key properties of (4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine?
(4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine has a molecular weight of 272.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-5-fluoro-6-[(1R)-1-fluoroethyl]-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine is sourced from PubChem (CID 118441038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).