2-[4-(trifluoromethyl)thiophen-2-yl]-1H-imidazole

C8H5F3N2S — CID 67694656

IUPAC2-[4-(trifluoromethyl)thiophen-2-yl]-1H-imidazole
SMILESFC(F)(F)c1csc(-c2ncc[nH]2)c1
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)5-3-6(14-4-5)7-12-1-2-13-7/h1-4H,(H,12,13)
InChIKeySAXNXUJGGVRVLL-UHFFFAOYSA-N
MW218.20 g/mol
LogP3.16
Rot. Bonds1

About 2-[4-(trifluoromethyl)thiophen-2-yl]-1H-imidazole

2-[4-(trifluoromethyl)thiophen-2-yl]-1H-imidazole (PubChem CID 67694656) has the molecular formula C8H5F3N2S and a molecular weight of 218.20 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)thiophen-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)thiophen-2-yl]-1H-imidazole
PubChem CID67694656
Molecular FormulaC8H5F3N2S
Molecular Weight218.20 g/mol
Exact Mass218.01
IUPAC Name2-[4-(trifluoromethyl)thiophen-2-yl]-1H-imidazole
SMILESFC(F)(F)c1csc(-c2ncc[nH]2)c1
InChIInChI=1S/C8H5F3N2S/c9-8(10,11)5-3-6(14-4-5)7-12-1-2-13-7/h1-4H,(H,12,13)
InChIKeySAXNXUJGGVRVLL-UHFFFAOYSA-N
XLogP3.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)thiophen-2-yl]-1H-imidazole?
The IUPAC name of 2-[4-(trifluoromethyl)thiophen-2-yl]-1H-imidazole (CID 67694656) is 2-[4-(trifluoromethyl)thiophen-2-yl]-1H-imidazole.
What is the SMILES notation for 2-[4-(trifluoromethyl)thiophen-2-yl]-1H-imidazole?
The canonical SMILES for 2-[4-(trifluoromethyl)thiophen-2-yl]-1H-imidazole is FC(F)(F)c1csc(-c2ncc[nH]2)c1.
What is the InChIKey of 2-[4-(trifluoromethyl)thiophen-2-yl]-1H-imidazole?
The InChIKey is SAXNXUJGGVRVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2S/c9-8(10,11)5-3-6(14-4-5)7-12-1-2-13-7/h1-4H,(H,12,13).
What are the key properties of 2-[4-(trifluoromethyl)thiophen-2-yl]-1H-imidazole?
2-[4-(trifluoromethyl)thiophen-2-yl]-1H-imidazole has a molecular weight of 218.20 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)thiophen-2-yl]-1H-imidazole is sourced from PubChem (CID 67694656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).