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

C5H4F4N2S — CID 23350097

IUPAC2-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-imidazole
SMILESFC(F)C(F)(F)Sc1ncc[nH]1
InChIInChI=1S/C5H4F4N2S/c6-3(7)5(8,9)12-4-10-1-2-11-4/h1-3H,(H,10,11)
InChIKeyRDNLZNUSNNGUMU-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.36
Rot. Bonds3

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

2-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-imidazole (PubChem CID 23350097) has the molecular formula C5H4F4N2S and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-imidazole.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-imidazole
PubChem CID23350097
Molecular FormulaC5H4F4N2S
Molecular Weight200.16 g/mol
Exact Mass200.00
IUPAC Name2-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-imidazole
SMILESFC(F)C(F)(F)Sc1ncc[nH]1
InChIInChI=1S/C5H4F4N2S/c6-3(7)5(8,9)12-4-10-1-2-11-4/h1-3H,(H,10,11)
InChIKeyRDNLZNUSNNGUMU-UHFFFAOYSA-N
XLogP2.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-imidazole?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-imidazole (CID 23350097) is 2-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-imidazole.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-imidazole?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-imidazole is FC(F)C(F)(F)Sc1ncc[nH]1.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-imidazole?
The InChIKey is RDNLZNUSNNGUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4N2S/c6-3(7)5(8,9)12-4-10-1-2-11-4/h1-3H,(H,10,11).
What are the key properties of 2-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-imidazole?
2-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-imidazole has a molecular weight of 200.16 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrafluoroethylsulfanyl)-1H-imidazole is sourced from PubChem (CID 23350097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).