(3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine

C11H12F3NO — CID 15151214

IUPAC(3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine
SMILESCN1OC[C@@H](C(F)(F)F)[C@@H]1c1ccccc1
InChIInChI=1S/C11H12F3NO/c1-15-10(8-5-3-2-4-6-8)9(7-16-15)11(12,13)14/h2-6,9-10H,7H2,1H3/t9-,10+/m1/s1
InChIKeyXCDOAVSHTKSXSN-ZJUUUORDSA-N
MW231.22 g/mol
LogP2.78
Rot. Bonds1

About (3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine

(3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine (PubChem CID 15151214) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is (3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine
PubChem CID15151214
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name(3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine
SMILESCN1OC[C@@H](C(F)(F)F)[C@@H]1c1ccccc1
InChIInChI=1S/C11H12F3NO/c1-15-10(8-5-3-2-4-6-8)9(7-16-15)11(12,13)14/h2-6,9-10H,7H2,1H3/t9-,10+/m1/s1
InChIKeyXCDOAVSHTKSXSN-ZJUUUORDSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 15151212
4-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 13582988
(3S,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 101639521
5-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 134922281
2,2-Difluoro-3-phenyl-3,3a-dihydro-[1,2]oxazolo[2,3-a]pyridine
CID 162399988
(3r,5s)-5-Iodomethyl-2-methyl-3-phenyl-isoxazolidine
CID 11141200
(3R,5S)-2-tert-Butyl-5-iodomethyl-3-phenyl-isoxazolidine
CID 21582106
(3R,5R)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 5323941
(3R,5R)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 10420426
(3S,4S)-2-ethyl-3-phenyl-4-phenylselanyl-1,2-oxazolidine
CID 10903692
(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
CID 11413758
5-Methyl-6-phenyl-4-oxa-5-azaspiro[2.4]heptane
CID 13585889

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine?
The IUPAC name of (3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine (CID 15151214) is (3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine.
What is the SMILES notation for (3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine?
The canonical SMILES for (3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine is CN1OC[C@@H](C(F)(F)F)[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine?
The InChIKey is XCDOAVSHTKSXSN-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-15-10(8-5-3-2-4-6-8)9(7-16-15)11(12,13)14/h2-6,9-10H,7H2,1H3/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine?
(3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine has a molecular weight of 231.22 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine is sourced from PubChem (CID 15151214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).