1-methyl-2-(trifluoromethoxy)imidazolidine

C5H9F3N2O — CID 123380195

IUPAC1-methyl-2-(trifluoromethoxy)imidazolidine
SMILESCN1CCNC1OC(F)(F)F
InChIInChI=1S/C5H9F3N2O/c1-10-3-2-9-4(10)11-5(6,7)8/h4,9H,2-3H2,1H3
InChIKeyXFSUSFPNJXSTLW-UHFFFAOYSA-N
MW170.13 g/mol
LogP0.34
Rot. Bonds1

About 1-methyl-2-(trifluoromethoxy)imidazolidine

1-methyl-2-(trifluoromethoxy)imidazolidine (PubChem CID 123380195) has the molecular formula C5H9F3N2O and a molecular weight of 170.13 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethoxy)imidazolidine.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethoxy)imidazolidine
PubChem CID123380195
Molecular FormulaC5H9F3N2O
Molecular Weight170.13 g/mol
Exact Mass170.07
IUPAC Name1-methyl-2-(trifluoromethoxy)imidazolidine
SMILESCN1CCNC1OC(F)(F)F
InChIInChI=1S/C5H9F3N2O/c1-10-3-2-9-4(10)11-5(6,7)8/h4,9H,2-3H2,1H3
InChIKeyXFSUSFPNJXSTLW-UHFFFAOYSA-N
XLogP0.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1,2-dimethylimidazolidine
CID 89259433
(2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine
CID 177313582
1-methyl-2-(trifluoromethoxy)-2,5-dihydropyrrole
CID 123774935
(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine
CID 178126696
(1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane
CID 155972992
1,2-dimethylimidazolidine;formamide
CID 175059210
2-methyl-4-(trifluoromethoxy)pyrrolidine
CID 68562745
2-[(2R,3S)-3,4-dimethylpiperazin-2-yl]acetic acid
CID 96630875
(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 104975435
(2S,3R)-1-methyl-2,3-diphenylpiperazine
CID 141484879
[(2S,4R)-1-methyl-4-(trifluoromethoxy)pyrrolidin-2-yl]methanamine
CID 175670742
2-ethyl-3-fluoro-1-methyl-4-(trifluoromethoxy)pyrrolidine
CID 166984272

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethoxy)imidazolidine?
The IUPAC name of 1-methyl-2-(trifluoromethoxy)imidazolidine (CID 123380195) is 1-methyl-2-(trifluoromethoxy)imidazolidine.
What is the SMILES notation for 1-methyl-2-(trifluoromethoxy)imidazolidine?
The canonical SMILES for 1-methyl-2-(trifluoromethoxy)imidazolidine is CN1CCNC1OC(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethoxy)imidazolidine?
The InChIKey is XFSUSFPNJXSTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O/c1-10-3-2-9-4(10)11-5(6,7)8/h4,9H,2-3H2,1H3.
What are the key properties of 1-methyl-2-(trifluoromethoxy)imidazolidine?
1-methyl-2-(trifluoromethoxy)imidazolidine has a molecular weight of 170.13 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethoxy)imidazolidine is sourced from PubChem (CID 123380195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).