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

C7H12F2N2 — CID 66681735

IUPAC1-(1,1-difluoroethyl)-3-ethyl-2H-imidazole
SMILESCCN1C=CN(C(C)(F)F)C1
InChIInChI=1S/C7H12F2N2/c1-3-10-4-5-11(6-10)7(2,8)9/h4-5H,3,6H2,1-2H3
InChIKeyYXJSXSKIOAQYNL-UHFFFAOYSA-N
MW162.18 g/mol
LogP1.67
Rot. Bonds2

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

1-(1,1-difluoroethyl)-3-ethyl-2H-imidazole (PubChem CID 66681735) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-3-ethyl-2H-imidazole.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-3-ethyl-2H-imidazole
PubChem CID66681735
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name1-(1,1-difluoroethyl)-3-ethyl-2H-imidazole
SMILESCCN1C=CN(C(C)(F)F)C1
InChIInChI=1S/C7H12F2N2/c1-3-10-4-5-11(6-10)7(2,8)9/h4-5H,3,6H2,1-2H3
InChIKeyYXJSXSKIOAQYNL-UHFFFAOYSA-N
XLogP1.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-3-ethyl-2H-imidazole?
The IUPAC name of 1-(1,1-difluoroethyl)-3-ethyl-2H-imidazole (CID 66681735) is 1-(1,1-difluoroethyl)-3-ethyl-2H-imidazole.
What is the SMILES notation for 1-(1,1-difluoroethyl)-3-ethyl-2H-imidazole?
The canonical SMILES for 1-(1,1-difluoroethyl)-3-ethyl-2H-imidazole is CCN1C=CN(C(C)(F)F)C1.
What is the InChIKey of 1-(1,1-difluoroethyl)-3-ethyl-2H-imidazole?
The InChIKey is YXJSXSKIOAQYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-3-10-4-5-11(6-10)7(2,8)9/h4-5H,3,6H2,1-2H3.
What are the key properties of 1-(1,1-difluoroethyl)-3-ethyl-2H-imidazole?
1-(1,1-difluoroethyl)-3-ethyl-2H-imidazole has a molecular weight of 162.18 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-3-ethyl-2H-imidazole is sourced from PubChem (CID 66681735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).