1-(5,5,5-trifluoropentyl)imidazole-4,5-dicarbonitrile

C10H9F3N4 — CID 86794663

IUPAC1-(5,5,5-trifluoropentyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CCCCC(F)(F)F)c1C#N
InChIInChI=1S/C10H9F3N4/c11-10(12,13)3-1-2-4-17-7-16-8(5-14)9(17)6-15/h7H,1-4H2
InChIKeyGBPDQFYBEAHMJP-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.36
Rot. Bonds4

About 1-(5,5,5-trifluoropentyl)imidazole-4,5-dicarbonitrile

1-(5,5,5-trifluoropentyl)imidazole-4,5-dicarbonitrile (PubChem CID 86794663) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is 1-(5,5,5-trifluoropentyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(5,5,5-trifluoropentyl)imidazole-4,5-dicarbonitrile
PubChem CID86794663
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name1-(5,5,5-trifluoropentyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CCCCC(F)(F)F)c1C#N
InChIInChI=1S/C10H9F3N4/c11-10(12,13)3-1-2-4-17-7-16-8(5-14)9(17)6-15/h7H,1-4H2
InChIKeyGBPDQFYBEAHMJP-UHFFFAOYSA-N
XLogP2.36
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5,5-trifluoropentyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(5,5,5-trifluoropentyl)imidazole-4,5-dicarbonitrile (CID 86794663) is 1-(5,5,5-trifluoropentyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(5,5,5-trifluoropentyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(5,5,5-trifluoropentyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(CCCCC(F)(F)F)c1C#N.
What is the InChIKey of 1-(5,5,5-trifluoropentyl)imidazole-4,5-dicarbonitrile?
The InChIKey is GBPDQFYBEAHMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c11-10(12,13)3-1-2-4-17-7-16-8(5-14)9(17)6-15/h7H,1-4H2.
What are the key properties of 1-(5,5,5-trifluoropentyl)imidazole-4,5-dicarbonitrile?
1-(5,5,5-trifluoropentyl)imidazole-4,5-dicarbonitrile has a molecular weight of 242.20 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5,5-trifluoropentyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 86794663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).