1-(1,1,2,2,2-pentafluoroethyl)imidazole-4,5-dicarbonitrile

C7HF5N4 — CID 175221584

IUPAC1-(1,1,2,2,2-pentafluoroethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(C(F)(F)C(F)(F)F)c1C#N
InChIInChI=1S/C7HF5N4/c8-6(9,10)7(11,12)16-3-15-4(1-13)5(16)2-14/h3H
InChIKeyZVMJKWBYLYOEHX-UHFFFAOYSA-N
MW236.10 g/mol
LogP1.74
Rot. Bonds1

About 1-(1,1,2,2,2-pentafluoroethyl)imidazole-4,5-dicarbonitrile

1-(1,1,2,2,2-pentafluoroethyl)imidazole-4,5-dicarbonitrile (PubChem CID 175221584) has the molecular formula C7HF5N4 and a molecular weight of 236.10 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethyl)imidazole-4,5-dicarbonitrile
PubChem CID175221584
Molecular FormulaC7HF5N4
Molecular Weight236.10 g/mol
Exact Mass236.01
IUPAC Name1-(1,1,2,2,2-pentafluoroethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(C(F)(F)C(F)(F)F)c1C#N
InChIInChI=1S/C7HF5N4/c8-6(9,10)7(11,12)16-3-15-4(1-13)5(16)2-14/h3H
InChIKeyZVMJKWBYLYOEHX-UHFFFAOYSA-N
XLogP1.74
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)imidazole-4,5-dicarbonitrile (CID 175221584) is 1-(1,1,2,2,2-pentafluoroethyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(C(F)(F)C(F)(F)F)c1C#N.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethyl)imidazole-4,5-dicarbonitrile?
The InChIKey is ZVMJKWBYLYOEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF5N4/c8-6(9,10)7(11,12)16-3-15-4(1-13)5(16)2-14/h3H.
What are the key properties of 1-(1,1,2,2,2-pentafluoroethyl)imidazole-4,5-dicarbonitrile?
1-(1,1,2,2,2-pentafluoroethyl)imidazole-4,5-dicarbonitrile has a molecular weight of 236.10 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentafluoroethyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 175221584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).