(4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine

C11H12F3NO — CID 71045167

IUPAC(4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine
SMILESFC(F)(F)CC1N[C@H](c2ccccc2)CO1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)6-10-15-9(7-16-10)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2/t9-,10?/m0/s1
InChIKeyIFFNJUOGLMNAOE-RGURZIINSA-N
MW231.22 g/mol
LogP2.63
Rot. Bonds2

About (4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine

(4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine (PubChem CID 71045167) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is (4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine
PubChem CID71045167
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name(4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine
SMILESFC(F)(F)CC1N[C@H](c2ccccc2)CO1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)6-10-15-9(7-16-10)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2/t9-,10?/m0/s1
InChIKeyIFFNJUOGLMNAOE-RGURZIINSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 (4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine?
The IUPAC name of (4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine (CID 71045167) is (4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine.
What is the SMILES notation for (4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine?
The canonical SMILES for (4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine is FC(F)(F)CC1N[C@H](c2ccccc2)CO1.
What is the InChIKey of (4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine?
The InChIKey is IFFNJUOGLMNAOE-RGURZIINSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)6-10-15-9(7-16-10)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2/t9-,10?/m0/s1.
What are the key properties of (4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine?
(4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine has a molecular weight of 231.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-2-(2,2,2-trifluoroethyl)-1,3-oxazolidine is sourced from PubChem (CID 71045167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).