1-[2-(trifluoromethylsulfonyl)ethyl]-3-(trifluoromethylsulfonylmethyl)-2H-imidazole

C8H10F6N2O4S2 — CID 87470568

IUPAC1-[2-(trifluoromethylsulfonyl)ethyl]-3-(trifluoromethylsulfonylmethyl)-2H-imidazole
SMILESO=S(=O)(CCN1C=CN(CS(=O)(=O)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C8H10F6N2O4S2/c9-7(10,11)21(17,18)4-3-15-1-2-16(5-15)6-22(19,20)8(12,13)14/h1-2H,3-6H2
InChIKeyAUVPDXBURMATRA-UHFFFAOYSA-N
MW376.30 g/mol
LogP0.86
Rot. Bonds5

About 1-[2-(trifluoromethylsulfonyl)ethyl]-3-(trifluoromethylsulfonylmethyl)-2H-imidazole

1-[2-(trifluoromethylsulfonyl)ethyl]-3-(trifluoromethylsulfonylmethyl)-2H-imidazole (PubChem CID 87470568) has the molecular formula C8H10F6N2O4S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 1-[2-(trifluoromethylsulfonyl)ethyl]-3-(trifluoromethylsulfonylmethyl)-2H-imidazole.

Molecular Properties

Compound Name1-[2-(trifluoromethylsulfonyl)ethyl]-3-(trifluoromethylsulfonylmethyl)-2H-imidazole
PubChem CID87470568
Molecular FormulaC8H10F6N2O4S2
Molecular Weight376.30 g/mol
Exact Mass376.00
IUPAC Name1-[2-(trifluoromethylsulfonyl)ethyl]-3-(trifluoromethylsulfonylmethyl)-2H-imidazole
SMILESO=S(=O)(CCN1C=CN(CS(=O)(=O)C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C8H10F6N2O4S2/c9-7(10,11)21(17,18)4-3-15-1-2-16(5-15)6-22(19,20)8(12,13)14/h1-2H,3-6H2
InChIKeyAUVPDXBURMATRA-UHFFFAOYSA-N
XLogP0.86
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethylsulfonyl)ethyl]-3-(trifluoromethylsulfonylmethyl)-2H-imidazole?
The IUPAC name of 1-[2-(trifluoromethylsulfonyl)ethyl]-3-(trifluoromethylsulfonylmethyl)-2H-imidazole (CID 87470568) is 1-[2-(trifluoromethylsulfonyl)ethyl]-3-(trifluoromethylsulfonylmethyl)-2H-imidazole.
What is the SMILES notation for 1-[2-(trifluoromethylsulfonyl)ethyl]-3-(trifluoromethylsulfonylmethyl)-2H-imidazole?
The canonical SMILES for 1-[2-(trifluoromethylsulfonyl)ethyl]-3-(trifluoromethylsulfonylmethyl)-2H-imidazole is O=S(=O)(CCN1C=CN(CS(=O)(=O)C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethylsulfonyl)ethyl]-3-(trifluoromethylsulfonylmethyl)-2H-imidazole?
The InChIKey is AUVPDXBURMATRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2O4S2/c9-7(10,11)21(17,18)4-3-15-1-2-16(5-15)6-22(19,20)8(12,13)14/h1-2H,3-6H2.
What are the key properties of 1-[2-(trifluoromethylsulfonyl)ethyl]-3-(trifluoromethylsulfonylmethyl)-2H-imidazole?
1-[2-(trifluoromethylsulfonyl)ethyl]-3-(trifluoromethylsulfonylmethyl)-2H-imidazole has a molecular weight of 376.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethylsulfonyl)ethyl]-3-(trifluoromethylsulfonylmethyl)-2H-imidazole is sourced from PubChem (CID 87470568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).