2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole

C8H11F3N2S — CID 116618214

IUPAC2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole
SMILESCCc1nccn1CCSC(F)(F)F
InChIInChI=1S/C8H11F3N2S/c1-2-7-12-3-4-13(7)5-6-14-8(9,10)11/h3-4H,2,5-6H2,1H3
InChIKeyDVILYWYLVBBXIU-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.70
Rot. Bonds4

About 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole

2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole (PubChem CID 116618214) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole.

Molecular Properties

Compound Name2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole
PubChem CID116618214
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole
SMILESCCc1nccn1CCSC(F)(F)F
InChIInChI=1S/C8H11F3N2S/c1-2-7-12-3-4-13(7)5-6-14-8(9,10)11/h3-4H,2,5-6H2,1H3
InChIKeyDVILYWYLVBBXIU-UHFFFAOYSA-N
XLogP2.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
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2-ethyl-1-[2-(2-methylpropylsulfanyl)ethyl]imidazole
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2-ethyl-1-(3-ethylsulfanylpropyl)imidazole
CID 115769672
2-ethyl-1-(4-methylsulfanylbutyl)imidazole
CID 141069920
N-[2-(2-ethylimidazol-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62565129
3-(2-ethylimidazol-1-yl)propanal
CID 63040378
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
(2-ethylimidazol-1-yl)methanamine
CID 122501271
2-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106429372
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole?
The IUPAC name of 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole (CID 116618214) is 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole.
What is the SMILES notation for 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole?
The canonical SMILES for 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole is CCc1nccn1CCSC(F)(F)F.
What is the InChIKey of 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole?
The InChIKey is DVILYWYLVBBXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-2-7-12-3-4-13(7)5-6-14-8(9,10)11/h3-4H,2,5-6H2,1H3.
What are the key properties of 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole?
2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole has a molecular weight of 224.25 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(trifluoromethylsulfanyl)ethyl]imidazole is sourced from PubChem (CID 116618214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).