1-(2-cyano-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile

C9H4F3N5 — CID 103368191

IUPAC1-(2-cyano-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CC(C#N)C(F)(F)F)c1C#N
InChIInChI=1S/C9H4F3N5/c10-9(11,12)6(1-13)4-17-5-16-7(2-14)8(17)3-15/h5-6H,4H2
InChIKeyVXNYXDUZTMIHCJ-UHFFFAOYSA-N
MW239.16 g/mol
LogP1.33
Rot. Bonds2

About 1-(2-cyano-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile

1-(2-cyano-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile (PubChem CID 103368191) has the molecular formula C9H4F3N5 and a molecular weight of 239.16 g/mol. Its IUPAC name is 1-(2-cyano-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(2-cyano-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile
PubChem CID103368191
Molecular FormulaC9H4F3N5
Molecular Weight239.16 g/mol
Exact Mass239.04
IUPAC Name1-(2-cyano-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(CC(C#N)C(F)(F)F)c1C#N
InChIInChI=1S/C9H4F3N5/c10-9(11,12)6(1-13)4-17-5-16-7(2-14)8(17)3-15/h5-6H,4H2
InChIKeyVXNYXDUZTMIHCJ-UHFFFAOYSA-N
XLogP1.33
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(2-cyano-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile (CID 103368191) is 1-(2-cyano-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(2-cyano-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(2-cyano-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(CC(C#N)C(F)(F)F)c1C#N.
What is the InChIKey of 1-(2-cyano-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile?
The InChIKey is VXNYXDUZTMIHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N5/c10-9(11,12)6(1-13)4-17-5-16-7(2-14)8(17)3-15/h5-6H,4H2.
What are the key properties of 1-(2-cyano-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile?
1-(2-cyano-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile has a molecular weight of 239.16 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-3,3,3-trifluoropropyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 103368191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).