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

C7H5F6N3O — CID 103310282

IUPAC3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-(trifluoromethyl)propanamide
SMILESO=C(Nc1ncc[nH]1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F6N3O/c8-6(9,10)3(7(11,12)13)4(17)16-5-14-1-2-15-5/h1-3H,(H2,14,15,16,17)
InChIKeyZINZDLUYQIJHKX-UHFFFAOYSA-N
MW261.13 g/mol
LogP2.09
Rot. Bonds2

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

3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-(trifluoromethyl)propanamide (PubChem CID 103310282) has the molecular formula C7H5F6N3O and a molecular weight of 261.13 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-(trifluoromethyl)propanamide
PubChem CID103310282
Molecular FormulaC7H5F6N3O
Molecular Weight261.13 g/mol
Exact Mass261.03
IUPAC Name3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-(trifluoromethyl)propanamide
SMILESO=C(Nc1ncc[nH]1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F6N3O/c8-6(9,10)3(7(11,12)13)4(17)16-5-14-1-2-15-5/h1-3H,(H2,14,15,16,17)
InChIKeyZINZDLUYQIJHKX-UHFFFAOYSA-N
XLogP2.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-(trifluoromethyl)propanamide (CID 103310282) is 3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-(trifluoromethyl)propanamide is O=C(Nc1ncc[nH]1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-(trifluoromethyl)propanamide?
The InChIKey is ZINZDLUYQIJHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F6N3O/c8-6(9,10)3(7(11,12)13)4(17)16-5-14-1-2-15-5/h1-3H,(H2,14,15,16,17).
What are the key properties of 3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-(1H-imidazol-2-yl)-2-(trifluoromethyl)propanamide has a molecular weight of 261.13 g/mol, XLogP of 2.09, 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)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).