5-(1,1-difluoroethyl)-1H-imidazole

C5H6F2N2 — CID 147887964

IUPAC5-(1,1-difluoroethyl)-1H-imidazole
SMILESCC(F)(F)c1cnc[nH]1
InChIInChI=1S/C5H6F2N2/c1-5(6,7)4-2-8-3-9-4/h2-3H,1H3,(H,8,9)
InChIKeyIBRYSSVGWRMSNM-UHFFFAOYSA-N
MW132.11 g/mol
LogP1.52
Rot. Bonds1

About 5-(1,1-difluoroethyl)-1H-imidazole

5-(1,1-difluoroethyl)-1H-imidazole (PubChem CID 147887964) has the molecular formula C5H6F2N2 and a molecular weight of 132.11 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-1H-imidazole
PubChem CID147887964
Molecular FormulaC5H6F2N2
Molecular Weight132.11 g/mol
Exact Mass132.05
IUPAC Name5-(1,1-difluoroethyl)-1H-imidazole
SMILESCC(F)(F)c1cnc[nH]1
InChIInChI=1S/C5H6F2N2/c1-5(6,7)4-2-8-3-9-4/h2-3H,1H3,(H,8,9)
InChIKeyIBRYSSVGWRMSNM-UHFFFAOYSA-N
XLogP1.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-1H-imidazole?
The IUPAC name of 5-(1,1-difluoroethyl)-1H-imidazole (CID 147887964) is 5-(1,1-difluoroethyl)-1H-imidazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-1H-imidazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-1H-imidazole is CC(F)(F)c1cnc[nH]1.
What is the InChIKey of 5-(1,1-difluoroethyl)-1H-imidazole?
The InChIKey is IBRYSSVGWRMSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2/c1-5(6,7)4-2-8-3-9-4/h2-3H,1H3,(H,8,9).
What are the key properties of 5-(1,1-difluoroethyl)-1H-imidazole?
5-(1,1-difluoroethyl)-1H-imidazole has a molecular weight of 132.11 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-1H-imidazole is sourced from PubChem (CID 147887964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).