1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile

C8H7FN4 — CID 112595640

IUPAC1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CCCF)c1C#N
InChIInChI=1S/C8H7FN4/c9-2-1-3-13-6-12-7(4-10)8(13)5-11/h6H,1-3H2
InChIKeyRZGQEABPKFASBU-UHFFFAOYSA-N
MW178.17 g/mol
LogP0.99
Rot. Bonds3

About 1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile

1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile (PubChem CID 112595640) has the molecular formula C8H7FN4 and a molecular weight of 178.17 g/mol. Its IUPAC name is 1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile
PubChem CID112595640
Molecular FormulaC8H7FN4
Molecular Weight178.17 g/mol
Exact Mass178.07
IUPAC Name1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CCCF)c1C#N
InChIInChI=1S/C8H7FN4/c9-2-1-3-13-6-12-7(4-10)8(13)5-11/h6H,1-3H2
InChIKeyRZGQEABPKFASBU-UHFFFAOYSA-N
XLogP0.99
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile (CID 112595640) is 1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(CCCF)c1C#N.
What is the InChIKey of 1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile?
The InChIKey is RZGQEABPKFASBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4/c9-2-1-3-13-6-12-7(4-10)8(13)5-11/h6H,1-3H2.
What are the key properties of 1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile?
1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile has a molecular weight of 178.17 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).