2-(1,1,2-trifluoroethylsulfanyl)-1H-imidazole

C5H5F3N2S — CID 57426271

IUPAC2-(1,1,2-trifluoroethylsulfanyl)-1H-imidazole
SMILESFCC(F)(F)Sc1ncc[nH]1
InChIInChI=1S/C5H5F3N2S/c6-3-5(7,8)11-4-9-1-2-10-4/h1-2H,3H2,(H,9,10)
InChIKeyIOHCXXVLWAKZJN-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.06
Rot. Bonds3

About 2-(1,1,2-trifluoroethylsulfanyl)-1H-imidazole

2-(1,1,2-trifluoroethylsulfanyl)-1H-imidazole (PubChem CID 57426271) has the molecular formula C5H5F3N2S and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-(1,1,2-trifluoroethylsulfanyl)-1H-imidazole.

Molecular Properties

Compound Name2-(1,1,2-trifluoroethylsulfanyl)-1H-imidazole
PubChem CID57426271
Molecular FormulaC5H5F3N2S
Molecular Weight182.17 g/mol
Exact Mass182.01
IUPAC Name2-(1,1,2-trifluoroethylsulfanyl)-1H-imidazole
SMILESFCC(F)(F)Sc1ncc[nH]1
InChIInChI=1S/C5H5F3N2S/c6-3-5(7,8)11-4-9-1-2-10-4/h1-2H,3H2,(H,9,10)
InChIKeyIOHCXXVLWAKZJN-UHFFFAOYSA-N
XLogP2.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2-trifluoroethylsulfanyl)-1H-imidazole?
The IUPAC name of 2-(1,1,2-trifluoroethylsulfanyl)-1H-imidazole (CID 57426271) is 2-(1,1,2-trifluoroethylsulfanyl)-1H-imidazole.
What is the SMILES notation for 2-(1,1,2-trifluoroethylsulfanyl)-1H-imidazole?
The canonical SMILES for 2-(1,1,2-trifluoroethylsulfanyl)-1H-imidazole is FCC(F)(F)Sc1ncc[nH]1.
What is the InChIKey of 2-(1,1,2-trifluoroethylsulfanyl)-1H-imidazole?
The InChIKey is IOHCXXVLWAKZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S/c6-3-5(7,8)11-4-9-1-2-10-4/h1-2H,3H2,(H,9,10).
What are the key properties of 2-(1,1,2-trifluoroethylsulfanyl)-1H-imidazole?
2-(1,1,2-trifluoroethylsulfanyl)-1H-imidazole has a molecular weight of 182.17 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2-trifluoroethylsulfanyl)-1H-imidazole is sourced from PubChem (CID 57426271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).