(3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol

C12H12F3NO2 — CID 24797115

IUPAC(3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol
SMILESCC1=N[C@H](c2ccccc2)CO[C@@]1(O)C(F)(F)F
InChIInChI=1S/C12H12F3NO2/c1-8-11(17,12(13,14)15)18-7-10(16-8)9-5-3-2-4-6-9/h2-6,10,17H,7H2,1H3/t10-,11+/m0/s1
InChIKeyHYBHFFODCXWFKT-WDEREUQCSA-N
MW259.23 g/mol
LogP2.47
Rot. Bonds1

About (3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol

(3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol (PubChem CID 24797115) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is (3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol.

Molecular Properties

Compound Name(3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol
PubChem CID24797115
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name(3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol
SMILESCC1=N[C@H](c2ccccc2)CO[C@@]1(O)C(F)(F)F
InChIInChI=1S/C12H12F3NO2/c1-8-11(17,12(13,14)15)18-7-10(16-8)9-5-3-2-4-6-9/h2-6,10,17H,7H2,1H3/t10-,11+/m0/s1
InChIKeyHYBHFFODCXWFKT-WDEREUQCSA-N
XLogP2.47
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol with MolForge

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Related Compounds

(3R)-3-phenyl-5,7-bis(trifluoromethyl)-2,3-dihydro-1,4-oxazepine
CID 11573147
(3R,6R)-5-pent-4-enyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol
CID 24795138
(3S)-3-phenyl-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2,3-dihydro-1,4-oxazin-6-one
CID 134858529
(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
CID 134858563
4-Phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
CID 154720158
(R)-3-Methyl-5-phenyl-5,6-dihydro-2H-1,4-oxazin-2-one
CID 11127054
(5S)-3-methyl-5-phenyl-5,6-dihydro-2H-1,4-oxazin-2-one
CID 57467834
trifluoromethyl N-[(1S)-2-hydroxy-1-phenylethyl]methanimidate
CID 57689275
2-[4-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanol
CID 71003670
3-[4-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol
CID 71193891
(S)-N-(2,2,2-Trifluoroethylidene)-1-phenyl-2-ethoxyethanamine
CID 102104027
(4S)-2-(Trifluoromethyl)-4-phenyl-2-oxazoline
CID 102448796

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol?
The IUPAC name of (3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol (CID 24797115) is (3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol.
What is the SMILES notation for (3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol?
The canonical SMILES for (3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol is CC1=N[C@H](c2ccccc2)CO[C@@]1(O)C(F)(F)F.
What is the InChIKey of (3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol?
The InChIKey is HYBHFFODCXWFKT-WDEREUQCSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-8-11(17,12(13,14)15)18-7-10(16-8)9-5-3-2-4-6-9/h2-6,10,17H,7H2,1H3/t10-,11+/m0/s1.
What are the key properties of (3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol?
(3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol has a molecular weight of 259.23 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-5-methyl-3-phenyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxazin-6-ol is sourced from PubChem (CID 24797115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).