lithium;hydride;2-(trifluoromethyl)imidazole-1,4-dicarbonitrile

C6H2F3LiN4 — CID 174053443

IUPAClithium;hydride;2-(trifluoromethyl)imidazole-1,4-dicarbonitrile
SMILESN#Cc1cn(C#N)c(C(F)(F)F)n1.[H-].[Li+]
InChIInChI=1S/C6HF3N4.Li.H/c7-6(8,9)5-12-4(1-10)2-13(5)3-11;;/h2H;;/q;+1;-1
InChIKeyBZDWEQNBYNCWKF-UHFFFAOYSA-N
MW194.05 g/mol
LogP-1.78
Rot. Bonds

About lithium;hydride;2-(trifluoromethyl)imidazole-1,4-dicarbonitrile

lithium;hydride;2-(trifluoromethyl)imidazole-1,4-dicarbonitrile (PubChem CID 174053443) has the molecular formula C6H2F3LiN4 and a molecular weight of 194.05 g/mol. Its IUPAC name is lithium;hydride;2-(trifluoromethyl)imidazole-1,4-dicarbonitrile.

Molecular Properties

Compound Namelithium;hydride;2-(trifluoromethyl)imidazole-1,4-dicarbonitrile
PubChem CID174053443
Molecular FormulaC6H2F3LiN4
Molecular Weight194.05 g/mol
Exact Mass194.04
IUPAC Namelithium;hydride;2-(trifluoromethyl)imidazole-1,4-dicarbonitrile
SMILESN#Cc1cn(C#N)c(C(F)(F)F)n1.[H-].[Li+]
InChIInChI=1S/C6HF3N4.Li.H/c7-6(8,9)5-12-4(1-10)2-13(5)3-11;;/h2H;;/q;+1;-1
InChIKeyBZDWEQNBYNCWKF-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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Related Compounds

1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl-
CID 90327
1-Methyl-1H-imidazole-4-carbonitrile
CID 2795115
1-Methyl-1H-imidazole-5-carbonitrile
CID 2795425
2-chloro-1-methyl-1H-imidazole-5-carbonitrile
CID 117272781
1-methyl-4-(trifluoromethyl)-1H-imidazol-2-amine
CID 138991202
3-Methyl-2-(1-methylimidazol-2-yl)imidazole-4-carbonitrile
CID 44339833
1,3-Dimethylimidazol-1-ium-4-carbonitrile
CID 172457878
5-[[1-(Difluoromethyl)imidazol-4-yl]amino]pyrazine-2-carbonitrile
CID 178293357
1,2-Dimethyl-4-(trifluoromethyl)-1h-imidazole
CID 12747526
1H-Imidazole, 1-(difluoromethyl)-4-methyl-
CID 119094149
1H-Imidazole, 1-(difluoromethyl)-5-methyl-
CID 119094150
2-Tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;2-(trifluoromethyl)imidazole-1,4-dicarbonitrile?
The IUPAC name of lithium;hydride;2-(trifluoromethyl)imidazole-1,4-dicarbonitrile (CID 174053443) is lithium;hydride;2-(trifluoromethyl)imidazole-1,4-dicarbonitrile.
What is the SMILES notation for lithium;hydride;2-(trifluoromethyl)imidazole-1,4-dicarbonitrile?
The canonical SMILES for lithium;hydride;2-(trifluoromethyl)imidazole-1,4-dicarbonitrile is N#Cc1cn(C#N)c(C(F)(F)F)n1.[H-].[Li+].
What is the InChIKey of lithium;hydride;2-(trifluoromethyl)imidazole-1,4-dicarbonitrile?
The InChIKey is BZDWEQNBYNCWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF3N4.Li.H/c7-6(8,9)5-12-4(1-10)2-13(5)3-11;;/h2H;;/q;+1;-1.
What are the key properties of lithium;hydride;2-(trifluoromethyl)imidazole-1,4-dicarbonitrile?
lithium;hydride;2-(trifluoromethyl)imidazole-1,4-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;2-(trifluoromethyl)imidazole-1,4-dicarbonitrile is sourced from PubChem (CID 174053443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).