(4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole

C9H11F3N2 — CID 170191140

IUPAC(4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole
SMILESC/C=c1/nc(C(F)(F)F)n(C)/c1=C/C
InChIInChI=1S/C9H11F3N2/c1-4-6-7(5-2)14(3)8(13-6)9(10,11)12/h4-5H,1-3H3/b6-4+,7-5+
InChIKeyBAUFMRFJSOBRQW-YDFGWWAZSA-N
MW204.19 g/mol
LogP1.04
Rot. Bonds

About (4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole

(4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole (PubChem CID 170191140) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole
PubChem CID170191140
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name(4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole
SMILESC/C=c1/nc(C(F)(F)F)n(C)/c1=C/C
InChIInChI=1S/C9H11F3N2/c1-4-6-7(5-2)14(3)8(13-6)9(10,11)12/h4-5H,1-3H3/b6-4+,7-5+
InChIKeyBAUFMRFJSOBRQW-YDFGWWAZSA-N
XLogP1.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole (CID 170191140) is (4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole is C/C=c1/nc(C(F)(F)F)n(C)/c1=C/C.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole?
The InChIKey is BAUFMRFJSOBRQW-YDFGWWAZSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-4-6-7(5-2)14(3)8(13-6)9(10,11)12/h4-5H,1-3H3/b6-4+,7-5+.
What are the key properties of (4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole?
(4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole has a molecular weight of 204.19 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 170191140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).