3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide

C6H8F3N3O — CID 174851879

IUPAC3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide
SMILESNC(=O)N1C=CN(CC(F)(F)F)C1
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)3-11-1-2-12(4-11)5(10)13/h1-2H,3-4H2,(H2,10,13)
InChIKeyWCRWRSXNRAAOFW-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.67
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide

3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide (PubChem CID 174851879) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide
PubChem CID174851879
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide
SMILESNC(=O)N1C=CN(CC(F)(F)F)C1
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)3-11-1-2-12(4-11)5(10)13/h1-2H,3-4H2,(H2,10,13)
InChIKeyWCRWRSXNRAAOFW-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide (CID 174851879) is 3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide is NC(=O)N1C=CN(CC(F)(F)F)C1.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide?
The InChIKey is WCRWRSXNRAAOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c7-6(8,9)3-11-1-2-12(4-11)5(10)13/h1-2H,3-4H2,(H2,10,13).
What are the key properties of 3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide?
3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide has a molecular weight of 195.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-2H-imidazole-1-carboxamide is sourced from PubChem (CID 174851879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).