5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine

C12H14F3NO — CID 21242485

IUPAC5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine
SMILESCCC1CNC(c2ccccc2C(F)(F)F)O1
InChIInChI=1S/C12H14F3NO/c1-2-8-7-16-11(17-8)9-5-3-4-6-10(9)12(13,14)15/h3-6,8,11,16H,2,7H2,1H3
InChIKeyALTKJEHMFXTRSX-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.10
Rot. Bonds2

About 5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine

5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine (PubChem CID 21242485) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine.

Molecular Properties

Compound Name5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine
PubChem CID21242485
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine
SMILESCCC1CNC(c2ccccc2C(F)(F)F)O1
InChIInChI=1S/C12H14F3NO/c1-2-8-7-16-11(17-8)9-5-3-4-6-10(9)12(13,14)15/h3-6,8,11,16H,2,7H2,1H3
InChIKeyALTKJEHMFXTRSX-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine?
The IUPAC name of 5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine (CID 21242485) is 5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine.
What is the SMILES notation for 5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine?
The canonical SMILES for 5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine is CCC1CNC(c2ccccc2C(F)(F)F)O1.
What is the InChIKey of 5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine?
The InChIKey is ALTKJEHMFXTRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-2-8-7-16-11(17-8)9-5-3-4-6-10(9)12(13,14)15/h3-6,8,11,16H,2,7H2,1H3.
What are the key properties of 5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine?
5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine has a molecular weight of 245.24 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine is sourced from PubChem (CID 21242485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).