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

C7H5FN4 — CID 112595615

IUPAC1-(2-fluoroethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CCF)c1C#N
InChIInChI=1S/C7H5FN4/c8-1-2-12-5-11-6(3-9)7(12)4-10/h5H,1-2H2
InChIKeyUHSVSLVNCNJVKN-UHFFFAOYSA-N
MW164.14 g/mol
LogP0.60
Rot. Bonds2

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

1-(2-fluoroethyl)imidazole-4,5-dicarbonitrile (PubChem CID 112595615) has the molecular formula C7H5FN4 and a molecular weight of 164.14 g/mol. Its IUPAC name is 1-(2-fluoroethyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(2-fluoroethyl)imidazole-4,5-dicarbonitrile
PubChem CID112595615
Molecular FormulaC7H5FN4
Molecular Weight164.14 g/mol
Exact Mass164.05
IUPAC Name1-(2-fluoroethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CCF)c1C#N
InChIInChI=1S/C7H5FN4/c8-1-2-12-5-11-6(3-9)7(12)4-10/h5H,1-2H2
InChIKeyUHSVSLVNCNJVKN-UHFFFAOYSA-N
XLogP0.60
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-methyl-1H-imidazole-4-carbonitrile
CID 11051635
1-Methyl-1H-imidazole-4,5-dicarbonitrile
CID 583268
4-amino-1-methyl-1H-imidazole-5-carbonitrile
CID 407624
2-Fluoro-1-methylimidazole-4,5-dicarbonitrile
CID 10773133
N-(5-cyano-1-methyl-1H-imidazol-4-yl)-N-methylcyanamide
CID 146682601
1-Ethyl-1H-imidazole-4,5-dicarbonitrile
CID 15721926
(Z)-N'-(5-cyano-1-methyl-1H-imidazol-4-yl)-N,N-dimethylmethanimidamide
CID 10352234
(E)-N'-(5-cyano-1-methyl-1H-imidazol-4-yl)-N,N-dimethylethanimidamide
CID 145913165
2-(Difluoromethyl)-1-methylimidazole-4,5-dicarbonitrile
CID 138985010
1-Methyl-5-(trifluoromethyl)imidazole-4-carbonitrile
CID 164686208
1-(2,2,2-Trifluoroethyl)-1H-imidazole-4,5-dicarbonitrile
CID 11367647
1,4-Dimethyl-5-(trifluoromethyl)imidazole
CID 20719661

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(2-fluoroethyl)imidazole-4,5-dicarbonitrile (CID 112595615) is 1-(2-fluoroethyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(2-fluoroethyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(2-fluoroethyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(CCF)c1C#N.
What is the InChIKey of 1-(2-fluoroethyl)imidazole-4,5-dicarbonitrile?
The InChIKey is UHSVSLVNCNJVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4/c8-1-2-12-5-11-6(3-9)7(12)4-10/h5H,1-2H2.
What are the key properties of 1-(2-fluoroethyl)imidazole-4,5-dicarbonitrile?
1-(2-fluoroethyl)imidazole-4,5-dicarbonitrile has a molecular weight of 164.14 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).