1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane

C8H16F4N2S — CID 175320698

IUPAC1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane
SMILESCCN1C=CN(C)C1.FC(F)C(F)F.S
InChIInChI=1S/C6H12N2.C2H2F4.H2S/c1-3-8-5-4-7(2)6-8;3-1(4)2(5)6;/h4-5H,3,6H2,1-2H3;1-2H;1H2
InChIKeyYZKPJUYWVBLQCP-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.31
Rot. Bonds2

About 1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane

1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane (PubChem CID 175320698) has the molecular formula C8H16F4N2S and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane.

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane
PubChem CID175320698
Molecular FormulaC8H16F4N2S
Molecular Weight248.29 g/mol
Exact Mass248.10
IUPAC Name1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane
SMILESCCN1C=CN(C)C1.FC(F)C(F)F.S
InChIInChI=1S/C6H12N2.C2H2F4.H2S/c1-3-8-5-4-7(2)6-8;3-1(4)2(5)6;/h4-5H,3,6H2,1-2H3;1-2H;1H2
InChIKeyYZKPJUYWVBLQCP-UHFFFAOYSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)
CID 175554894
alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 174780208
azanium;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate
CID 174106655
potassium;1-ethyl-3-methyl-2H-imidazole;hexafluorophosphate
CID 174903378
cobalt;1-ethyl-3-methyl-2H-imidazole;methanone
CID 174605686
1,3-diethyl-2H-imidazole;fluoroform
CID 174507741
difluoroazanide;1-ethyl-3-methyl-2H-imidazole;bis(sulfur dioxide)
CID 160727359
cyanamide;1-ethyl-3-methyl-2H-imidazole
CID 118007414
1-ethyl-3-methyl-2H-imidazole;phosphoric acid
CID 135221908
1-ethyl-3-methyl-2H-imidazole formate
CID 162292973
chloroform;ethanol;1-ethyl-3-methyl-2H-imidazole;tetrafluoroborate;hydrate
CID 174810794
1-ethyl-3-methyl-2H-imidazole;propanoate
CID 162288775

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane?
The IUPAC name of 1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane (CID 175320698) is 1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane.
What is the SMILES notation for 1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane?
The canonical SMILES for 1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane is CCN1C=CN(C)C1.FC(F)C(F)F.S.
What is the InChIKey of 1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane?
The InChIKey is YZKPJUYWVBLQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C2H2F4.H2S/c1-3-8-5-4-7(2)6-8;3-1(4)2(5)6;/h4-5H,3,6H2,1-2H3;1-2H;1H2.
What are the key properties of 1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane?
1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane has a molecular weight of 248.29 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-imidazole;sulfane;1,1,2,2-tetrafluoroethane is sourced from PubChem (CID 175320698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).