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

C11H12F3NO — CID 67982727

IUPAC(2S)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine
SMILESC[C@]1(C(F)(F)F)NC(c2ccccc2)CO1
InChIInChI=1S/C11H12F3NO/c1-10(11(12,13)14)15-9(7-16-10)8-5-3-2-4-6-8/h2-6,9,15H,7H2,1H3/t9?,10-/m0/s1
InChIKeyWDPAGNQIJBVMQI-AXDSSHIGSA-N
MW231.22 g/mol
LogP2.63
Rot. Bonds1

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

(2S)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine (PubChem CID 67982727) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is (2S)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2S)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine
PubChem CID67982727
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name(2S)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine
SMILESC[C@]1(C(F)(F)F)NC(c2ccccc2)CO1
InChIInChI=1S/C11H12F3NO/c1-10(11(12,13)14)15-9(7-16-10)8-5-3-2-4-6-8/h2-6,9,15H,7H2,1H3/t9?,10-/m0/s1
InChIKeyWDPAGNQIJBVMQI-AXDSSHIGSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine?
The IUPAC name of (2S)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine (CID 67982727) is (2S)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine.
What is the SMILES notation for (2S)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine?
The canonical SMILES for (2S)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine is C[C@]1(C(F)(F)F)NC(c2ccccc2)CO1.
What is the InChIKey of (2S)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine?
The InChIKey is WDPAGNQIJBVMQI-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-10(11(12,13)14)15-9(7-16-10)8-5-3-2-4-6-8/h2-6,9,15H,7H2,1H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine?
(2S)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine has a molecular weight of 231.22 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine is sourced from PubChem (CID 67982727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).