2-chloro-1-(difluoromethyl)imidazole-4,5-dicarbonitrile

C6HClF2N4 — CID 141267430

IUPAC2-chloro-1-(difluoromethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(Cl)n(C(F)F)c1C#N
InChIInChI=1S/C6HClF2N4/c7-5-12-3(1-10)4(2-11)13(5)6(8)9/h6H
InChIKeyXRZZOKPMLSEYPC-UHFFFAOYSA-N
MW202.55 g/mol
LogP1.67
Rot. Bonds1

About 2-chloro-1-(difluoromethyl)imidazole-4,5-dicarbonitrile

2-chloro-1-(difluoromethyl)imidazole-4,5-dicarbonitrile (PubChem CID 141267430) has the molecular formula C6HClF2N4 and a molecular weight of 202.55 g/mol. Its IUPAC name is 2-chloro-1-(difluoromethyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-chloro-1-(difluoromethyl)imidazole-4,5-dicarbonitrile
PubChem CID141267430
Molecular FormulaC6HClF2N4
Molecular Weight202.55 g/mol
Exact Mass201.99
IUPAC Name2-chloro-1-(difluoromethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(Cl)n(C(F)F)c1C#N
InChIInChI=1S/C6HClF2N4/c7-5-12-3(1-10)4(2-11)13(5)6(8)9/h6H
InChIKeyXRZZOKPMLSEYPC-UHFFFAOYSA-N
XLogP1.67
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.55
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(difluoromethyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-chloro-1-(difluoromethyl)imidazole-4,5-dicarbonitrile (CID 141267430) is 2-chloro-1-(difluoromethyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-chloro-1-(difluoromethyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-chloro-1-(difluoromethyl)imidazole-4,5-dicarbonitrile is N#Cc1nc(Cl)n(C(F)F)c1C#N.
What is the InChIKey of 2-chloro-1-(difluoromethyl)imidazole-4,5-dicarbonitrile?
The InChIKey is XRZZOKPMLSEYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HClF2N4/c7-5-12-3(1-10)4(2-11)13(5)6(8)9/h6H.
What are the key properties of 2-chloro-1-(difluoromethyl)imidazole-4,5-dicarbonitrile?
2-chloro-1-(difluoromethyl)imidazole-4,5-dicarbonitrile has a molecular weight of 202.55 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(difluoromethyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 141267430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).