1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone

C7H9F3N2O — CID 59609604

IUPAC1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone
SMILESCC1N(C)C=CN1C(=O)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-5-11(2)3-4-12(5)6(13)7(8,9)10/h3-5H,1-2H3
InChIKeyIIVITCGVIWPWHR-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.14
Rot. Bonds

About 1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone

1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone (PubChem CID 59609604) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone
PubChem CID59609604
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone
SMILESCC1N(C)C=CN1C(=O)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-5-11(2)3-4-12(5)6(13)7(8,9)10/h3-5H,1-2H3
InChIKeyIIVITCGVIWPWHR-UHFFFAOYSA-N
XLogP1.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone (CID 59609604) is 1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone is CC1N(C)C=CN1C(=O)C(F)(F)F.
What is the InChIKey of 1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is IIVITCGVIWPWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-5-11(2)3-4-12(5)6(13)7(8,9)10/h3-5H,1-2H3.
What are the key properties of 1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone?
1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 194.16 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-2H-imidazol-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 59609604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).