2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-1H-imidazole

C6H7F3N2 — CID 101034107

IUPAC2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)C=CC1=NCCN1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)2-1-5-10-3-4-11-5/h1-2H,3-4H2,(H,10,11)
InChIKeyWVZFKVYPDJGAPJ-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.11
Rot. Bonds1

About 2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-1H-imidazole

2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-1H-imidazole (PubChem CID 101034107) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-1H-imidazole
PubChem CID101034107
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-1H-imidazole
SMILESFC(F)(F)C=CC1=NCCN1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)2-1-5-10-3-4-11-5/h1-2H,3-4H2,(H,10,11)
InChIKeyWVZFKVYPDJGAPJ-UHFFFAOYSA-N
XLogP1.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-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

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-1H-imidazole (CID 101034107) is 2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-1H-imidazole is FC(F)(F)C=CC1=NCCN1.
What is the InChIKey of 2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-1H-imidazole?
The InChIKey is WVZFKVYPDJGAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c7-6(8,9)2-1-5-10-3-4-11-5/h1-2H,3-4H2,(H,10,11).
What are the key properties of 2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-1H-imidazole?
2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-1H-imidazole has a molecular weight of 164.13 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoroprop-1-enyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 101034107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).