2-(trifluoromethyl)-2,3-dihydro-1H-imidazole

C4H5F3N2 — CID 67982634

IUPAC2-(trifluoromethyl)-2,3-dihydro-1H-imidazole
SMILESFC(F)(F)C1NC=CN1
InChIInChI=1S/C4H5F3N2/c5-4(6,7)3-8-1-2-9-3/h1-3,8-9H
InChIKeyHWTLAZNUIYNXRR-UHFFFAOYSA-N
MW138.09 g/mol
LogP0.54
Rot. Bonds

About 2-(trifluoromethyl)-2,3-dihydro-1H-imidazole

2-(trifluoromethyl)-2,3-dihydro-1H-imidazole (PubChem CID 67982634) has the molecular formula C4H5F3N2 and a molecular weight of 138.09 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-2,3-dihydro-1H-imidazole
PubChem CID67982634
Molecular FormulaC4H5F3N2
Molecular Weight138.09 g/mol
Exact Mass138.04
IUPAC Name2-(trifluoromethyl)-2,3-dihydro-1H-imidazole
SMILESFC(F)(F)C1NC=CN1
InChIInChI=1S/C4H5F3N2/c5-4(6,7)3-8-1-2-9-3/h1-3,8-9H
InChIKeyHWTLAZNUIYNXRR-UHFFFAOYSA-N
XLogP0.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(trifluoromethyl)-2,3-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-(trifluoromethyl)-2,3-dihydro-1H-imidazole?
The IUPAC name of 2-(trifluoromethyl)-2,3-dihydro-1H-imidazole (CID 67982634) is 2-(trifluoromethyl)-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 2-(trifluoromethyl)-2,3-dihydro-1H-imidazole?
The canonical SMILES for 2-(trifluoromethyl)-2,3-dihydro-1H-imidazole is FC(F)(F)C1NC=CN1.
What is the InChIKey of 2-(trifluoromethyl)-2,3-dihydro-1H-imidazole?
The InChIKey is HWTLAZNUIYNXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N2/c5-4(6,7)3-8-1-2-9-3/h1-3,8-9H.
What are the key properties of 2-(trifluoromethyl)-2,3-dihydro-1H-imidazole?
2-(trifluoromethyl)-2,3-dihydro-1H-imidazole has a molecular weight of 138.09 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 67982634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).