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

C9H9F6N3O — CID 103310313

IUPAC3,3,3-trifluoro-N-[1-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)propanamide
SMILESCC(NC(=O)C(C(F)(F)F)C(F)(F)F)c1ncc[nH]1
InChIInChI=1S/C9H9F6N3O/c1-4(6-16-2-3-17-6)18-7(19)5(8(10,11)12)9(13,14)15/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyKPDUIGPVHGTKAB-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.33
Rot. Bonds3

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

3,3,3-trifluoro-N-[1-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)propanamide (PubChem CID 103310313) has the molecular formula C9H9F6N3O and a molecular weight of 289.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)propanamide
PubChem CID103310313
Molecular FormulaC9H9F6N3O
Molecular Weight289.18 g/mol
Exact Mass289.06
IUPAC Name3,3,3-trifluoro-N-[1-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)propanamide
SMILESCC(NC(=O)C(C(F)(F)F)C(F)(F)F)c1ncc[nH]1
InChIInChI=1S/C9H9F6N3O/c1-4(6-16-2-3-17-6)18-7(19)5(8(10,11)12)9(13,14)15/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyKPDUIGPVHGTKAB-UHFFFAOYSA-N
XLogP2.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.33
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-[1-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[1-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)propanamide (CID 103310313) is 3,3,3-trifluoro-N-[1-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)propanamide is CC(NC(=O)C(C(F)(F)F)C(F)(F)F)c1ncc[nH]1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)propanamide?
The InChIKey is KPDUIGPVHGTKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3O/c1-4(6-16-2-3-17-6)18-7(19)5(8(10,11)12)9(13,14)15/h2-5H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3,3,3-trifluoro-N-[1-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-[1-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)propanamide has a molecular weight of 289.18 g/mol, XLogP of 2.33, 3 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-[1-(1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).