3-(2-fluoroethyl)-5-methylimidazole-4-carbonitrile

C7H8FN3 — CID 143165205

IUPAC3-(2-fluoroethyl)-5-methylimidazole-4-carbonitrile
SMILESCc1ncn(CCF)c1C#N
InChIInChI=1S/C7H8FN3/c1-6-7(4-9)11(3-2-8)5-10-6/h5H,2-3H2,1H3
InChIKeyKIYIDHDPWSXNCV-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.03
Rot. Bonds2

About 3-(2-fluoroethyl)-5-methylimidazole-4-carbonitrile

3-(2-fluoroethyl)-5-methylimidazole-4-carbonitrile (PubChem CID 143165205) has the molecular formula C7H8FN3 and a molecular weight of 153.16 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-5-methylimidazole-4-carbonitrile.

Molecular Properties

Compound Name3-(2-fluoroethyl)-5-methylimidazole-4-carbonitrile
PubChem CID143165205
Molecular FormulaC7H8FN3
Molecular Weight153.16 g/mol
Exact Mass153.07
IUPAC Name3-(2-fluoroethyl)-5-methylimidazole-4-carbonitrile
SMILESCc1ncn(CCF)c1C#N
InChIInChI=1S/C7H8FN3/c1-6-7(4-9)11(3-2-8)5-10-6/h5H,2-3H2,1H3
InChIKeyKIYIDHDPWSXNCV-UHFFFAOYSA-N
XLogP1.03
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-1H-imidazole-4,5-dicarbonitrile
CID 583268
1-Methyl-1H-imidazole-4-carbonitrile
CID 2795115
1-Methyl-1H-imidazole-5-carbonitrile
CID 2795425
2-Fluoro-1-methylimidazole-4,5-dicarbonitrile
CID 10773133
1H-Imidazole-1-ethanamine, 4,5-dimethyl-, hydrochloride (1:2)
CID 75531085
1,3-Dimethylimidazol-1-ium-4-carbonitrile
CID 172457878
N-(5-cyano-1-methyl-1H-imidazol-4-yl)-N-methylcyanamide
CID 146682601
1,4,5-Trimethyl-1H-imidazole
CID 573598
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-5-methylimidazole-4-carbonitrile?
The IUPAC name of 3-(2-fluoroethyl)-5-methylimidazole-4-carbonitrile (CID 143165205) is 3-(2-fluoroethyl)-5-methylimidazole-4-carbonitrile.
What is the SMILES notation for 3-(2-fluoroethyl)-5-methylimidazole-4-carbonitrile?
The canonical SMILES for 3-(2-fluoroethyl)-5-methylimidazole-4-carbonitrile is Cc1ncn(CCF)c1C#N.
What is the InChIKey of 3-(2-fluoroethyl)-5-methylimidazole-4-carbonitrile?
The InChIKey is KIYIDHDPWSXNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3/c1-6-7(4-9)11(3-2-8)5-10-6/h5H,2-3H2,1H3.
What are the key properties of 3-(2-fluoroethyl)-5-methylimidazole-4-carbonitrile?
3-(2-fluoroethyl)-5-methylimidazole-4-carbonitrile has a molecular weight of 153.16 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-5-methylimidazole-4-carbonitrile is sourced from PubChem (CID 143165205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).