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

C13H14F4N2O2 — CID 70873333

IUPAC(5R,6R)-6-(2-fluorophenyl)-6-methyl-5-(2,2,2-trifluoroethoxy)-4,5-dihydro-1,3-oxazin-2-amine
SMILESC[C@]1(c2ccccc2F)OC(N)=NC[C@H]1OCC(F)(F)F
InChIInChI=1S/C13H14F4N2O2/c1-12(8-4-2-3-5-9(8)14)10(6-19-11(18)21-12)20-7-13(15,16)17/h2-5,10H,6-7H2,1H3,(H2,18,19)/t10-,12-/m1/s1
InChIKeyQPRINFIDCVTNNZ-ZYHUDNBSSA-N
MW306.26 g/mol
LogP2.33
Rot. Bonds3

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

(5R,6R)-6-(2-fluorophenyl)-6-methyl-5-(2,2,2-trifluoroethoxy)-4,5-dihydro-1,3-oxazin-2-amine (PubChem CID 70873333) has the molecular formula C13H14F4N2O2 and a molecular weight of 306.26 g/mol. Its IUPAC name is (5R,6R)-6-(2-fluorophenyl)-6-methyl-5-(2,2,2-trifluoroethoxy)-4,5-dihydro-1,3-oxazin-2-amine.

Molecular Properties

Compound Name(5R,6R)-6-(2-fluorophenyl)-6-methyl-5-(2,2,2-trifluoroethoxy)-4,5-dihydro-1,3-oxazin-2-amine
PubChem CID70873333
Molecular FormulaC13H14F4N2O2
Molecular Weight306.26 g/mol
Exact Mass306.10
IUPAC Name(5R,6R)-6-(2-fluorophenyl)-6-methyl-5-(2,2,2-trifluoroethoxy)-4,5-dihydro-1,3-oxazin-2-amine
SMILESC[C@]1(c2ccccc2F)OC(N)=NC[C@H]1OCC(F)(F)F
InChIInChI=1S/C13H14F4N2O2/c1-12(8-4-2-3-5-9(8)14)10(6-19-11(18)21-12)20-7-13(15,16)17/h2-5,10H,6-7H2,1H3,(H2,18,19)/t10-,12-/m1/s1
InChIKeyQPRINFIDCVTNNZ-ZYHUDNBSSA-N
XLogP2.33
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-(2-fluorophenyl)-6-methyl-5-(2,2,2-trifluoroethoxy)-4,5-dihydro-1,3-oxazin-2-amine?
The IUPAC name of (5R,6R)-6-(2-fluorophenyl)-6-methyl-5-(2,2,2-trifluoroethoxy)-4,5-dihydro-1,3-oxazin-2-amine (CID 70873333) is (5R,6R)-6-(2-fluorophenyl)-6-methyl-5-(2,2,2-trifluoroethoxy)-4,5-dihydro-1,3-oxazin-2-amine.
What is the SMILES notation for (5R,6R)-6-(2-fluorophenyl)-6-methyl-5-(2,2,2-trifluoroethoxy)-4,5-dihydro-1,3-oxazin-2-amine?
The canonical SMILES for (5R,6R)-6-(2-fluorophenyl)-6-methyl-5-(2,2,2-trifluoroethoxy)-4,5-dihydro-1,3-oxazin-2-amine is C[C@]1(c2ccccc2F)OC(N)=NC[C@H]1OCC(F)(F)F.
What is the InChIKey of (5R,6R)-6-(2-fluorophenyl)-6-methyl-5-(2,2,2-trifluoroethoxy)-4,5-dihydro-1,3-oxazin-2-amine?
The InChIKey is QPRINFIDCVTNNZ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H14F4N2O2/c1-12(8-4-2-3-5-9(8)14)10(6-19-11(18)21-12)20-7-13(15,16)17/h2-5,10H,6-7H2,1H3,(H2,18,19)/t10-,12-/m1/s1.
What are the key properties of (5R,6R)-6-(2-fluorophenyl)-6-methyl-5-(2,2,2-trifluoroethoxy)-4,5-dihydro-1,3-oxazin-2-amine?
(5R,6R)-6-(2-fluorophenyl)-6-methyl-5-(2,2,2-trifluoroethoxy)-4,5-dihydro-1,3-oxazin-2-amine has a molecular weight of 306.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-(2-fluorophenyl)-6-methyl-5-(2,2,2-trifluoroethoxy)-4,5-dihydro-1,3-oxazin-2-amine is sourced from PubChem (CID 70873333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).