lithium;hydride;1-(trifluoromethyl)imidazole-4,5-dicarbonitrile

C6H2F3LiN4 — CID 174816416

IUPAClithium;hydride;1-(trifluoromethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(C(F)(F)F)c1C#N.[H-].[Li+]
InChIInChI=1S/C6HF3N4.Li.H/c7-6(8,9)13-3-12-4(1-10)5(13)2-11;;/h3H;;/q;+1;-1
InChIKeyJHPJBGQABMJFCB-UHFFFAOYSA-N
MW194.05 g/mol
LogP-1.78
Rot. Bonds

About lithium;hydride;1-(trifluoromethyl)imidazole-4,5-dicarbonitrile

lithium;hydride;1-(trifluoromethyl)imidazole-4,5-dicarbonitrile (PubChem CID 174816416) has the molecular formula C6H2F3LiN4 and a molecular weight of 194.05 g/mol. Its IUPAC name is lithium;hydride;1-(trifluoromethyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Namelithium;hydride;1-(trifluoromethyl)imidazole-4,5-dicarbonitrile
PubChem CID174816416
Molecular FormulaC6H2F3LiN4
Molecular Weight194.05 g/mol
Exact Mass194.04
IUPAC Namelithium;hydride;1-(trifluoromethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(C(F)(F)F)c1C#N.[H-].[Li+]
InChIInChI=1S/C6HF3N4.Li.H/c7-6(8,9)13-3-12-4(1-10)5(13)2-11;;/h3H;;/q;+1;-1
InChIKeyJHPJBGQABMJFCB-UHFFFAOYSA-N
XLogP-1.78
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.05
LogP ≤ 5-1.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;1-(trifluoromethyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of lithium;hydride;1-(trifluoromethyl)imidazole-4,5-dicarbonitrile (CID 174816416) is lithium;hydride;1-(trifluoromethyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for lithium;hydride;1-(trifluoromethyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for lithium;hydride;1-(trifluoromethyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(C(F)(F)F)c1C#N.[H-].[Li+].
What is the InChIKey of lithium;hydride;1-(trifluoromethyl)imidazole-4,5-dicarbonitrile?
The InChIKey is JHPJBGQABMJFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF3N4.Li.H/c7-6(8,9)13-3-12-4(1-10)5(13)2-11;;/h3H;;/q;+1;-1.
What are the key properties of lithium;hydride;1-(trifluoromethyl)imidazole-4,5-dicarbonitrile?
lithium;hydride;1-(trifluoromethyl)imidazole-4,5-dicarbonitrile has a molecular weight of 194.05 g/mol, XLogP of -1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;1-(trifluoromethyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 174816416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).