N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide

C6H6F3N3O — CID 39871269

IUPACN-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
SMILESO=C(NCC(F)(F)F)n1ccnc1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-11-5(13)12-2-1-10-4-12/h1-2,4H,3H2,(H,11,13)
InChIKeyIPENWKDFQGPYQR-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.00
Rot. Bonds1

About N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide

N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide (PubChem CID 39871269) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
PubChem CID39871269
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC NameN-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
SMILESO=C(NCC(F)(F)F)n1ccnc1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-11-5(13)12-2-1-10-4-12/h1-2,4H,3H2,(H,11,13)
InChIKeyIPENWKDFQGPYQR-UHFFFAOYSA-N
XLogP1.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide (CID 39871269) is N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide is O=C(NCC(F)(F)F)n1ccnc1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
The InChIKey is IPENWKDFQGPYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)3-11-5(13)12-2-1-10-4-12/h1-2,4H,3H2,(H,11,13).
What are the key properties of N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide has a molecular weight of 193.13 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide is sourced from PubChem (CID 39871269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).