2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole

C13H8F4N2S3 — CID 21314980

IUPAC2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole
SMILESFC(F)C(F)(F)Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1
InChIInChI=1S/C13H8F4N2S3/c14-11(15)13(16,17)22-12-18-9(7-3-1-5-20-7)10(19-12)8-4-2-6-21-8/h1-6,11H,(H,18,19)
InChIKeyBGVHBGKDAUAZMR-UHFFFAOYSA-N
MW364.41 g/mol
LogP5.82
Rot. Bonds5

About 2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole

2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole (PubChem CID 21314980) has the molecular formula C13H8F4N2S3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole
PubChem CID21314980
Molecular FormulaC13H8F4N2S3
Molecular Weight364.41 g/mol
Exact Mass363.98
IUPAC Name2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole
SMILESFC(F)C(F)(F)Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1
InChIInChI=1S/C13H8F4N2S3/c14-11(15)13(16,17)22-12-18-9(7-3-1-5-20-7)10(19-12)8-4-2-6-21-8/h1-6,11H,(H,18,19)
InChIKeyBGVHBGKDAUAZMR-UHFFFAOYSA-N
XLogP5.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.41
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 25356354
(2R)-N-(4-acetamidophenyl)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 40933652
2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 4825068
N-(2-cyano-3-methylbutan-2-yl)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 4827925
2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide
CID 4823359
(2S)-N-(cyclopropylcarbamoyl)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 25311321
N-[(2S)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 40933678
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]ethanone
CID 40517805
2-methyl-6,7-dithiophen-2-yl-8H-imidazo[4,5-g]quinoxaline
CID 146673760
2-(4-methylsulfanylphenyl)-4-phenyl-5-thiophen-2-yl-1H-imidazole
CID 950258
5-methyl-3-thiophen-2-yl-4-(trifluoromethyl)-1H-pyrazole
CID 125457809
5-(difluoromethyl)-3-thiophen-2-yl-1H-pyrazole
CID 23006217

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole (CID 21314980) is 2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole is FC(F)C(F)(F)Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole?
The InChIKey is BGVHBGKDAUAZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2S3/c14-11(15)13(16,17)22-12-18-9(7-3-1-5-20-7)10(19-12)8-4-2-6-21-8/h1-6,11H,(H,18,19).
What are the key properties of 2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole?
2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole has a molecular weight of 364.41 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole is sourced from PubChem (CID 21314980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).