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

C12H13F3N2O — CID 118399151

IUPAC(4R,5R,6R)-5-fluoro-6-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
SMILESC[C@]1(c2ccccc2F)N=C(N)O[C@H](CF)[C@@H]1F
InChIInChI=1S/C12H13F3N2O/c1-12(7-4-2-3-5-8(7)14)10(15)9(6-13)18-11(16)17-12/h2-5,9-10H,6H2,1H3,(H2,16,17)/t9-,10+,12-/m1/s1
InChIKeyOCZYZSATQBCHGN-JFGNBEQYSA-N
MW258.24 g/mol
LogP2.06
Rot. Bonds2

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

(4R,5R,6R)-5-fluoro-6-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine (PubChem CID 118399151) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is (4R,5R,6R)-5-fluoro-6-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(4R,5R,6R)-5-fluoro-6-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
PubChem CID118399151
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name(4R,5R,6R)-5-fluoro-6-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine
SMILESC[C@]1(c2ccccc2F)N=C(N)O[C@H](CF)[C@@H]1F
InChIInChI=1S/C12H13F3N2O/c1-12(7-4-2-3-5-8(7)14)10(15)9(6-13)18-11(16)17-12/h2-5,9-10H,6H2,1H3,(H2,16,17)/t9-,10+,12-/m1/s1
InChIKeyOCZYZSATQBCHGN-JFGNBEQYSA-N
XLogP2.06
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-5-fluoro-6-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine?
The IUPAC name of (4R,5R,6R)-5-fluoro-6-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine (CID 118399151) is (4R,5R,6R)-5-fluoro-6-(fluoromethyl)-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-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine?
The canonical SMILES for (4R,5R,6R)-5-fluoro-6-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine is C[C@]1(c2ccccc2F)N=C(N)O[C@H](CF)[C@@H]1F.
What is the InChIKey of (4R,5R,6R)-5-fluoro-6-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine?
The InChIKey is OCZYZSATQBCHGN-JFGNBEQYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-12(7-4-2-3-5-8(7)14)10(15)9(6-13)18-11(16)17-12/h2-5,9-10H,6H2,1H3,(H2,16,17)/t9-,10+,12-/m1/s1.
What are the key properties of (4R,5R,6R)-5-fluoro-6-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine?
(4R,5R,6R)-5-fluoro-6-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine has a molecular weight of 258.24 g/mol, XLogP of 2.06, 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-(fluoromethyl)-4-(2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-amine is sourced from PubChem (CID 118399151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).