1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole

C7H12F2N2 — CID 66681299

IUPAC1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole
SMILESCC1N(C)C=CN1C(C)(F)F
InChIInChI=1S/C7H12F2N2/c1-6-10(3)4-5-11(6)7(2,8)9/h4-6H,1-3H3
InChIKeyAHYKAIKXXGCXET-UHFFFAOYSA-N
MW162.18 g/mol
LogP1.66
Rot. Bonds1

About 1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole

1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole (PubChem CID 66681299) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole
PubChem CID66681299
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole
SMILESCC1N(C)C=CN1C(C)(F)F
InChIInChI=1S/C7H12F2N2/c1-6-10(3)4-5-11(6)7(2,8)9/h4-6H,1-3H3
InChIKeyAHYKAIKXXGCXET-UHFFFAOYSA-N
XLogP1.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-(1,1-difluoroethyl)-2,3-dimethyl-2H-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 1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole?
The IUPAC name of 1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole (CID 66681299) is 1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole.
What is the SMILES notation for 1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole?
The canonical SMILES for 1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole is CC1N(C)C=CN1C(C)(F)F.
What is the InChIKey of 1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole?
The InChIKey is AHYKAIKXXGCXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-6-10(3)4-5-11(6)7(2,8)9/h4-6H,1-3H3.
What are the key properties of 1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole?
1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole has a molecular weight of 162.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-2,3-dimethyl-2H-imidazole is sourced from PubChem (CID 66681299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).