(3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine

C11H12F3NO — CID 14379890

IUPAC(3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine
SMILESCN1O[C@H](c2ccccc2)C[C@H]1C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-15-10(11(12,13)14)7-9(16-15)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,10-/m0/s1
InChIKeyGIEQVIILBFCHAQ-UWVGGRQHSA-N
MW231.22 g/mol
LogP2.93
Rot. Bonds1

About (3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine

(3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine (PubChem CID 14379890) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is (3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine
PubChem CID14379890
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name(3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine
SMILESCN1O[C@H](c2ccccc2)C[C@H]1C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-15-10(11(12,13)14)7-9(16-15)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,10-/m0/s1
InChIKeyGIEQVIILBFCHAQ-UWVGGRQHSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]methanol
CID 131042168
(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine
CID 102384469
(3R,5R)-2,5-diphenyl-1,2-oxazolidin-3-amine
CID 139232503
ethane;2-phenyloxirane
CID 54171856
(2S)-2-amino-N-[(3S,5R)-2-methyl-5-phenyl-1,2-oxazolidin-3-yl]-3-phenylpropanamide
CID 139232525
(1S,2S,5R,6S,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 165340846
(1R,2R,5S,6R,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 125492867
(2R,4R)-1-ethyl-4-phenyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 11779857
(2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran
CID 162538407
2-phenyloxirane
CID 7276
(4-methylpiperazin-1-yl)-[(5R,7S)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 135984481
(2R,3S,5R)-3-bromo-2-[(2-methylpropan-2-yl)oxy]-5-phenyloxolane
CID 23253726

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine?
The IUPAC name of (3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine (CID 14379890) is (3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine.
What is the SMILES notation for (3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine?
The canonical SMILES for (3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine is CN1O[C@H](c2ccccc2)C[C@H]1C(F)(F)F.
What is the InChIKey of (3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine?
The InChIKey is GIEQVIILBFCHAQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-15-10(11(12,13)14)7-9(16-15)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-,10-/m0/s1.
What are the key properties of (3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine?
(3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine has a molecular weight of 231.22 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-2-methyl-5-phenyl-3-(trifluoromethyl)-1,2-oxazolidine is sourced from PubChem (CID 14379890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).