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

C13H16F3NO — CID 117228982

IUPAC5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine
SMILESCC1(C)CNC(Cc2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C13H16F3NO/c1-12(2)8-17-11(18-12)7-9-4-3-5-10(6-9)13(14,15)16/h3-6,11,17H,7-8H2,1-2H3
InChIKeyBTKZJLXCAIPCMS-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.97
Rot. Bonds2

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

5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine (PubChem CID 117228982) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine
PubChem CID117228982
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine
SMILESCC1(C)CNC(Cc2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C13H16F3NO/c1-12(2)8-17-11(18-12)7-9-4-3-5-10(6-9)13(14,15)16/h3-6,11,17H,7-8H2,1-2H3
InChIKeyBTKZJLXCAIPCMS-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-3-[[3-(trifluoromethyl)phenyl]methyl]azetidine
CID 115927272
5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane
CID 117226889
5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride
CID 117226888
(2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine
CID 10878939
1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene
CID 86203773
2,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride
CID 117226782
4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxan-4-amine
CID 115758041
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058938
ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium
CID 40609421
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine?
The IUPAC name of 5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine (CID 117228982) is 5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine.
What is the SMILES notation for 5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine?
The canonical SMILES for 5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine is CC1(C)CNC(Cc2cccc(C(F)(F)F)c2)O1.
What is the InChIKey of 5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine?
The InChIKey is BTKZJLXCAIPCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-12(2)8-17-11(18-12)7-9-4-3-5-10(6-9)13(14,15)16/h3-6,11,17H,7-8H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine?
5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine has a molecular weight of 259.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine is sourced from PubChem (CID 117228982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).