1,2-dimethyl-3-(trifluoromethyl)imidazolidine

C6H11F3N2 — CID 174639178

IUPAC1,2-dimethyl-3-(trifluoromethyl)imidazolidine
SMILESCC1N(C)CCN1C(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-5-10(2)3-4-11(5)6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyMXGBNMURHKZPFM-UHFFFAOYSA-N
MW168.16 g/mol
LogP1.10
Rot. Bonds

About 1,2-dimethyl-3-(trifluoromethyl)imidazolidine

1,2-dimethyl-3-(trifluoromethyl)imidazolidine (PubChem CID 174639178) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 1,2-dimethyl-3-(trifluoromethyl)imidazolidine.

Molecular Properties

Compound Name1,2-dimethyl-3-(trifluoromethyl)imidazolidine
PubChem CID174639178
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name1,2-dimethyl-3-(trifluoromethyl)imidazolidine
SMILESCC1N(C)CCN1C(F)(F)F
InChIInChI=1S/C6H11F3N2/c1-5-10(2)3-4-11(5)6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyMXGBNMURHKZPFM-UHFFFAOYSA-N
XLogP1.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2S,5S)-1,2,5-trimethyl-4-(trifluoromethyl)piperazine
CID 166870881
(2S,3R)-1-tert-butyl-2,3,4-trimethylpiperazine
CID 168821031
1-ethyl-2,3-dimethylimidazolidine;hydrochloride
CID 174740578
2-(2,3-dimethylimidazolidin-1-yl)ethanol
CID 67521197
1,2,3,4-tetramethylpiperazine
CID 66583347
1-butyl-2,3-dimethylimidazolidine;hydrochloride
CID 174751170
1-methyl-3-(2,2,2-trifluoroethyl)imidazolidin-2-ol
CID 170719763
(2S)-1-tert-butyl-2-methyl-4-(trifluoromethyl)piperazine
CID 168820917
1,4-dimethyl-2-(trifluoromethyl)piperazine
CID 89212727
1,2-dimethyl-4-(trifluoromethyl)pyrrolidine;ethane
CID 168939313
1-methyl-4-(2,2,2-trifluoroethyl)-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CID 118103383
2-chloro-1,3-dimethylimidazolidine;trifluoromethanesulfonic acid
CID 171930477

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(trifluoromethyl)imidazolidine?
The IUPAC name of 1,2-dimethyl-3-(trifluoromethyl)imidazolidine (CID 174639178) is 1,2-dimethyl-3-(trifluoromethyl)imidazolidine.
What is the SMILES notation for 1,2-dimethyl-3-(trifluoromethyl)imidazolidine?
The canonical SMILES for 1,2-dimethyl-3-(trifluoromethyl)imidazolidine is CC1N(C)CCN1C(F)(F)F.
What is the InChIKey of 1,2-dimethyl-3-(trifluoromethyl)imidazolidine?
The InChIKey is MXGBNMURHKZPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2/c1-5-10(2)3-4-11(5)6(7,8)9/h5H,3-4H2,1-2H3.
What are the key properties of 1,2-dimethyl-3-(trifluoromethyl)imidazolidine?
1,2-dimethyl-3-(trifluoromethyl)imidazolidine has a molecular weight of 168.16 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(trifluoromethyl)imidazolidine is sourced from PubChem (CID 174639178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).