1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole

C7H11F3N2 — CID 66681503

IUPAC1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
SMILESCC1N(C)C=CN1CC(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-6-11(2)3-4-12(6)5-7(8,9)10/h3-4,6H,5H2,1-2H3
InChIKeyKHPQXVIVKLAQCI-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.61
Rot. Bonds1

About 1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole

1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole (PubChem CID 66681503) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole.

Molecular Properties

Compound Name1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
PubChem CID66681503
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole
SMILESCC1N(C)C=CN1CC(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-6-11(2)3-4-12(6)5-7(8,9)10/h3-4,6H,5H2,1-2H3
InChIKeyKHPQXVIVKLAQCI-UHFFFAOYSA-N
XLogP1.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole?
The IUPAC name of 1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole (CID 66681503) is 1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole.
What is the SMILES notation for 1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole?
The canonical SMILES for 1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole is CC1N(C)C=CN1CC(F)(F)F.
What is the InChIKey of 1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole?
The InChIKey is KHPQXVIVKLAQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-6-11(2)3-4-12(6)5-7(8,9)10/h3-4,6H,5H2,1-2H3.
What are the key properties of 1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole?
1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole has a molecular weight of 180.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2,2,2-trifluoroethyl)-2H-imidazole is sourced from PubChem (CID 66681503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).