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

C12H14F3NO — CID 21242493

IUPAC5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine
SMILESCCC1CNC(c2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C12H14F3NO/c1-2-10-7-16-11(17-10)8-4-3-5-9(6-8)12(13,14)15/h3-6,10-11,16H,2,7H2,1H3
InChIKeyLOVXDEVMBDLTHI-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.10
Rot. Bonds2

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

5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine (PubChem CID 21242493) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine.

Molecular Properties

Compound Name5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine
PubChem CID21242493
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine
SMILESCCC1CNC(c2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C12H14F3NO/c1-2-10-7-16-11(17-10)8-4-3-5-9(6-8)12(13,14)15/h3-6,10-11,16H,2,7H2,1H3
InChIKeyLOVXDEVMBDLTHI-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

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Related Compounds

Flumexadol
CID 65774
(S)-2-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-phenylpiperidine
CID 11712457
Fludorex
CID 27139
Flumexadol HCl
CID 208046
3-Methyl-2-phenyl-1,3-oxazolidine
CID 98113
2,3-Dimethyl-2-phenyl-1,3-oxazolidine
CID 388442
3-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-2-phenyl-piperidine
CID 10477054
(2S,3S)-3-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-phenylpiperidine
CID 44331792
SK&F 39728-A
CID 38114
Oxazolidine, 4-methyl-5-phenyl-2-trifluoromethyl-
CID 207926
Pirepemat
CID 135381565
5-(Chloromethyl)-2-phenyl-1,3-oxazolidine
CID 270701

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine?
The IUPAC name of 5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine (CID 21242493) is 5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine.
What is the SMILES notation for 5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine?
The canonical SMILES for 5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine is CCC1CNC(c2cccc(C(F)(F)F)c2)O1.
What is the InChIKey of 5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine?
The InChIKey is LOVXDEVMBDLTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-2-10-7-16-11(17-10)8-4-3-5-9(6-8)12(13,14)15/h3-6,10-11,16H,2,7H2,1H3.
What are the key properties of 5-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine?
5-ethyl-2-[3-(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-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine is sourced from PubChem (CID 21242493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).