1-(difluoromethyl)-2-thiophen-2-ylimidazole

C8H6F2N2S — CID 116621597

IUPAC1-(difluoromethyl)-2-thiophen-2-ylimidazole
SMILESFC(F)n1ccnc1-c1cccs1
InChIInChI=1S/C8H6F2N2S/c9-8(10)12-4-3-11-7(12)6-2-1-5-13-6/h1-5,8H
InChIKeyKADFZTYUFLDWHH-UHFFFAOYSA-N
MW200.21 g/mol
LogP3.01
Rot. Bonds2

About 1-(difluoromethyl)-2-thiophen-2-ylimidazole

1-(difluoromethyl)-2-thiophen-2-ylimidazole (PubChem CID 116621597) has the molecular formula C8H6F2N2S and a molecular weight of 200.21 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-thiophen-2-ylimidazole
PubChem CID116621597
Molecular FormulaC8H6F2N2S
Molecular Weight200.21 g/mol
Exact Mass200.02
IUPAC Name1-(difluoromethyl)-2-thiophen-2-ylimidazole
SMILESFC(F)n1ccnc1-c1cccs1
InChIInChI=1S/C8H6F2N2S/c9-8(10)12-4-3-11-7(12)6-2-1-5-13-6/h1-5,8H
InChIKeyKADFZTYUFLDWHH-UHFFFAOYSA-N
XLogP3.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol
CID 64719272
1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole
CID 64756890
1-(difluoromethyl)-2-[(3-thiophen-2-ylpyrazol-1-yl)methyl]imidazole
CID 84586031
N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide
CID 116621681
ethyl 2-(2-thiophen-2-ylimidazol-1-yl)butanoate
CID 64662267
N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine
CID 64707252
1-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylimidazole
CID 105409270
3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 114357734
1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 112560248
1-(4-methylpentyl)-2-thiophen-2-ylimidazole
CID 116621649
1-(4-fluorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanol
CID 109411319
formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
CID 163338192

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-thiophen-2-ylimidazole?
The IUPAC name of 1-(difluoromethyl)-2-thiophen-2-ylimidazole (CID 116621597) is 1-(difluoromethyl)-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-thiophen-2-ylimidazole is FC(F)n1ccnc1-c1cccs1.
What is the InChIKey of 1-(difluoromethyl)-2-thiophen-2-ylimidazole?
The InChIKey is KADFZTYUFLDWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2S/c9-8(10)12-4-3-11-7(12)6-2-1-5-13-6/h1-5,8H.
What are the key properties of 1-(difluoromethyl)-2-thiophen-2-ylimidazole?
1-(difluoromethyl)-2-thiophen-2-ylimidazole has a molecular weight of 200.21 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-thiophen-2-ylimidazole is sourced from PubChem (CID 116621597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).