2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole

C9H7F3N2 — CID 154426720

IUPAC2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole
SMILESFC1=C(F)C(F)(c2ncc[nH]2)CC=C1
InChIInChI=1S/C9H7F3N2/c10-6-2-1-3-9(12,7(6)11)8-13-4-5-14-8/h1-2,4-5H,3H2,(H,13,14)
InChIKeyYLDBGZILPDTLOX-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.68
Rot. Bonds1

About 2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole

2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole (PubChem CID 154426720) has the molecular formula C9H7F3N2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole
PubChem CID154426720
Molecular FormulaC9H7F3N2
Molecular Weight200.16 g/mol
Exact Mass200.06
IUPAC Name2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole
SMILESFC1=C(F)C(F)(c2ncc[nH]2)CC=C1
InChIInChI=1S/C9H7F3N2/c10-6-2-1-3-9(12,7(6)11)8-13-4-5-14-8/h1-2,4-5H,3H2,(H,13,14)
InChIKeyYLDBGZILPDTLOX-UHFFFAOYSA-N
XLogP2.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole with MolForge

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

Launch Full Analysis

Related Compounds

2-Subsituted 1H-imidazole, 23
CID 57339816
2-Subsituted 1H-imidazole, 26
CID 57339817
2-Subsituted 1H-imidazole, 28
CID 57339818
2-prop-2-enyl-1H-imidazole
CID 10057459
4-Imidazolyl-1,4-dihydropyridine
CID 70410241
1-(1H-imidazol-2-yl)-4-(trifluoromethyl)-2H-pyridine
CID 67694992
2-but-3-enyl-5-fluoro-1H-imidazole
CID 69002450
sulfane;2-(4,4,4-trifluorobut-1-enyl)-1H-imidazole
CID 69751521
2-(4,4,4-trifluorobut-1-enyl)-1H-imidazole
CID 69751522
5-fluoro-2-prop-2-enyl-1H-imidazole
CID 70127226
2-(3-fluoroprop-2-enyl)-1H-imidazole
CID 70127229
2-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]-1H-imidazole
CID 89338191

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole?
The IUPAC name of 2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole (CID 154426720) is 2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole.
What is the SMILES notation for 2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole?
The canonical SMILES for 2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole is FC1=C(F)C(F)(c2ncc[nH]2)CC=C1.
What is the InChIKey of 2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole?
The InChIKey is YLDBGZILPDTLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2/c10-6-2-1-3-9(12,7(6)11)8-13-4-5-14-8/h1-2,4-5H,3H2,(H,13,14).
What are the key properties of 2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole?
2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole has a molecular weight of 200.16 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3-trifluorocyclohexa-2,4-dien-1-yl)-1H-imidazole is sourced from PubChem (CID 154426720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).