(2E)-3-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]-1H-imidazole

C8H9F3N2 — CID 58224548

IUPAC(2E)-3-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]-1H-imidazole
SMILESC=C(/C=C1\NC=CN1C)C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-6(8(9,10)11)5-7-12-3-4-13(7)2/h3-5,12H,1H2,2H3/b7-5+
InChIKeyNDMCUDDLXBSRKE-FNORWQNLSA-N
MW190.17 g/mol
LogP1.95
Rot. Bonds1

About (2E)-3-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]-1H-imidazole

(2E)-3-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]-1H-imidazole (PubChem CID 58224548) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is (2E)-3-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]-1H-imidazole.

Molecular Properties

Compound Name(2E)-3-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]-1H-imidazole
PubChem CID58224548
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name(2E)-3-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]-1H-imidazole
SMILESC=C(/C=C1\NC=CN1C)C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-6(8(9,10)11)5-7-12-3-4-13(7)2/h3-5,12H,1H2,2H3/b7-5+
InChIKeyNDMCUDDLXBSRKE-FNORWQNLSA-N
XLogP1.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]-1H-imidazole?
The IUPAC name of (2E)-3-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]-1H-imidazole (CID 58224548) is (2E)-3-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]-1H-imidazole.
What is the SMILES notation for (2E)-3-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]-1H-imidazole?
The canonical SMILES for (2E)-3-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]-1H-imidazole is C=C(/C=C1\NC=CN1C)C(F)(F)F.
What is the InChIKey of (2E)-3-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]-1H-imidazole?
The InChIKey is NDMCUDDLXBSRKE-FNORWQNLSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-6(8(9,10)11)5-7-12-3-4-13(7)2/h3-5,12H,1H2,2H3/b7-5+.
What are the key properties of (2E)-3-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]-1H-imidazole?
(2E)-3-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]-1H-imidazole has a molecular weight of 190.17 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-methyl-2-[2-(trifluoromethyl)prop-2-enylidene]-1H-imidazole is sourced from PubChem (CID 58224548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).