2-(trifluoromethyl)imidazole-1,5-dicarbonitrile

C6HF3N4 — CID 129111784

IUPAC2-(trifluoromethyl)imidazole-1,5-dicarbonitrile
SMILESN#Cc1cnc(C(F)(F)F)n1C#N
InChIInChI=1S/C6HF3N4/c7-6(8,9)5-12-2-4(1-10)13(5)3-11/h2H
InChIKeyYSGNSATYRABWEU-UHFFFAOYSA-N
MW186.10 g/mol
LogP1.10
Rot. Bonds

About 2-(trifluoromethyl)imidazole-1,5-dicarbonitrile

2-(trifluoromethyl)imidazole-1,5-dicarbonitrile (PubChem CID 129111784) has the molecular formula C6HF3N4 and a molecular weight of 186.10 g/mol. Its IUPAC name is 2-(trifluoromethyl)imidazole-1,5-dicarbonitrile.

Molecular Properties

Compound Name2-(trifluoromethyl)imidazole-1,5-dicarbonitrile
PubChem CID129111784
Molecular FormulaC6HF3N4
Molecular Weight186.10 g/mol
Exact Mass186.02
IUPAC Name2-(trifluoromethyl)imidazole-1,5-dicarbonitrile
SMILESN#Cc1cnc(C(F)(F)F)n1C#N
InChIInChI=1S/C6HF3N4/c7-6(8,9)5-12-2-4(1-10)13(5)3-11/h2H
InChIKeyYSGNSATYRABWEU-UHFFFAOYSA-N
XLogP1.10
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 51.10
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 2-(trifluoromethyl)imidazole-1,5-dicarbonitrile?
The IUPAC name of 2-(trifluoromethyl)imidazole-1,5-dicarbonitrile (CID 129111784) is 2-(trifluoromethyl)imidazole-1,5-dicarbonitrile.
What is the SMILES notation for 2-(trifluoromethyl)imidazole-1,5-dicarbonitrile?
The canonical SMILES for 2-(trifluoromethyl)imidazole-1,5-dicarbonitrile is N#Cc1cnc(C(F)(F)F)n1C#N.
What is the InChIKey of 2-(trifluoromethyl)imidazole-1,5-dicarbonitrile?
The InChIKey is YSGNSATYRABWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF3N4/c7-6(8,9)5-12-2-4(1-10)13(5)3-11/h2H.
What are the key properties of 2-(trifluoromethyl)imidazole-1,5-dicarbonitrile?
2-(trifluoromethyl)imidazole-1,5-dicarbonitrile has a molecular weight of 186.10 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)imidazole-1,5-dicarbonitrile is sourced from PubChem (CID 129111784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).