5-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-carboxylic acid

C9H5F3N2O2S — CID 58657071

IUPAC5-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ncc(C(F)(F)F)[nH]2)s1
InChIInChI=1S/C9H5F3N2O2S/c10-9(11,12)6-3-13-7(14-6)4-1-2-5(17-4)8(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKeyDSBBVMDBALQLON-UHFFFAOYSA-N
MW262.21 g/mol
LogP2.86
Rot. Bonds2

About 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-carboxylic acid

5-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-carboxylic acid (PubChem CID 58657071) has the molecular formula C9H5F3N2O2S and a molecular weight of 262.21 g/mol. Its IUPAC name is 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-carboxylic acid
PubChem CID58657071
Molecular FormulaC9H5F3N2O2S
Molecular Weight262.21 g/mol
Exact Mass262.00
IUPAC Name5-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ncc(C(F)(F)F)[nH]2)s1
InChIInChI=1S/C9H5F3N2O2S/c10-9(11,12)6-3-13-7(14-6)4-1-2-5(17-4)8(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKeyDSBBVMDBALQLON-UHFFFAOYSA-N
XLogP2.86
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-carboxylic acid (CID 58657071) is 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-carboxylic acid is O=C(O)c1ccc(-c2ncc(C(F)(F)F)[nH]2)s1.
What is the InChIKey of 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-carboxylic acid?
The InChIKey is DSBBVMDBALQLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2S/c10-9(11,12)6-3-13-7(14-6)4-1-2-5(17-4)8(15)16/h1-3H,(H,13,14)(H,15,16).
What are the key properties of 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-carboxylic acid?
5-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-carboxylic acid has a molecular weight of 262.21 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 58657071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).