3,3,3-trifluoro-N-(1H-imidazol-2-yl)propanamide

C6H6F3N3O — CID 60966952

IUPAC3,3,3-trifluoro-N-(1H-imidazol-2-yl)propanamide
SMILESO=C(CC(F)(F)F)Nc1ncc[nH]1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-4(13)12-5-10-1-2-11-5/h1-2H,3H2,(H2,10,11,12,13)
InChIKeyKHVWVROSWNWKPY-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.30
Rot. Bonds2

About 3,3,3-trifluoro-N-(1H-imidazol-2-yl)propanamide

3,3,3-trifluoro-N-(1H-imidazol-2-yl)propanamide (PubChem CID 60966952) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1H-imidazol-2-yl)propanamide
PubChem CID60966952
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name3,3,3-trifluoro-N-(1H-imidazol-2-yl)propanamide
SMILESO=C(CC(F)(F)F)Nc1ncc[nH]1
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)3-4(13)12-5-10-1-2-11-5/h1-2H,3H2,(H2,10,11,12,13)
InChIKeyKHVWVROSWNWKPY-UHFFFAOYSA-N
XLogP1.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-1-(1H-imidazol-2-yl)ethanone
CID 565436
N-1H-Imidazol-2-ylformamide
CID 18376592
Imidazolecarboxamide
CID 133520
Imidazolium Trifluoroacetate
CID 67183781
2,2-difluoro-1-(1H-imidazol-2-yl)ethan-1-one
CID 88203833
N-(1H-imidazol-2-yl)-2-methyl-3-sulfanylpropanamide
CID 72947091
1-Methylimidazolium trifluoroacetate
CID 11636995
2-(1,2,2,2-Tetrafluoroethyl)imidazole
CID 57279273
2,2,3,3,3-pentafluoro-1-(1H-imidazol-2-yl)propan-1-one
CID 87502118
N-(1H-Imidazol-2-yl)acetamide
CID 557800
1H-imidazole 2,2,2-trifluoroacetate
CID 24209753
2-(1,1-difluoroethyl)-1H-imidazole
CID 158512030

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(1H-imidazol-2-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(1H-imidazol-2-yl)propanamide (CID 60966952) is 3,3,3-trifluoro-N-(1H-imidazol-2-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(1H-imidazol-2-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(1H-imidazol-2-yl)propanamide is O=C(CC(F)(F)F)Nc1ncc[nH]1.
What is the InChIKey of 3,3,3-trifluoro-N-(1H-imidazol-2-yl)propanamide?
The InChIKey is KHVWVROSWNWKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)3-4(13)12-5-10-1-2-11-5/h1-2H,3H2,(H2,10,11,12,13).
What are the key properties of 3,3,3-trifluoro-N-(1H-imidazol-2-yl)propanamide?
3,3,3-trifluoro-N-(1H-imidazol-2-yl)propanamide has a molecular weight of 193.13 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 60966952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).