2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid

C6H5F3N2O2 — CID 62251177

IUPAC2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CC(F)(F)F)[nH]1
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)1-4-10-2-3(11-4)5(12)13/h2H,1H2,(H,10,11)(H,12,13)
InChIKeyFSHAXMAJWXBCLH-UHFFFAOYSA-N
MW194.11 g/mol
LogP1.21
Rot. Bonds2

About 2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid

2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid (PubChem CID 62251177) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid
PubChem CID62251177
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CC(F)(F)F)[nH]1
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)1-4-10-2-3(11-4)5(12)13/h2H,1H2,(H,10,11)(H,12,13)
InChIKeyFSHAXMAJWXBCLH-UHFFFAOYSA-N
XLogP1.21
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(sulfanylmethyl)-1H-imidazole-5-carboxylic acid
CID 117187458
2-propyl-1H-imidazole-5-carboxylic acid
CID 10511057
2-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-imidazole-5-carboxylic acid
CID 18469019
2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazole-5-carboxylic acid
CID 103150548
2-(methoxymethyl)-1H-imidazole-5-carboxylic acid;hydrochloride
CID 155943279
2-(azetidin-3-ylmethyl)-1H-imidazole-5-carboxylic acid
CID 105439326
2-[(4-tert-butylphenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 82300474
2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62331145
2-(1-methylsulfonylethyl)-1H-imidazole-5-carboxylic acid
CID 116633326
2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820568
2-[(3-fluorophenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62251169
2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazole-5-carboxylic acid
CID 117187185

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid (CID 62251177) is 2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(CC(F)(F)F)[nH]1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is FSHAXMAJWXBCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-6(8,9)1-4-10-2-3(11-4)5(12)13/h2H,1H2,(H,10,11)(H,12,13).
What are the key properties of 2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid?
2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 194.11 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 62251177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).