2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile

C16H7F6N5 — CID 3035495

IUPAC2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(C(F)(F)F)cc1/N=N/Nc1cc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C16H7F6N5/c17-15(18,19)11-3-1-9(7-23)13(5-11)25-27-26-14-6-12(16(20,21)22)4-2-10(14)8-24/h1-6H,(H,25,26)
InChIKeyRDVUDZNNIJSPIJ-UHFFFAOYSA-N
MW383.26 g/mol
LogP5.58
Rot. Bonds3

About 2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile

2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile (PubChem CID 3035495) has the molecular formula C16H7F6N5 and a molecular weight of 383.26 g/mol. Its IUPAC name is 2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile
PubChem CID3035495
Molecular FormulaC16H7F6N5
Molecular Weight383.26 g/mol
Exact Mass383.06
IUPAC Name2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(C(F)(F)F)cc1/N=N/Nc1cc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C16H7F6N5/c17-15(18,19)11-3-1-9(7-23)13(5-11)25-27-26-14-6-12(16(20,21)22)4-2-10(14)8-24/h1-6H,(H,25,26)
InChIKeyRDVUDZNNIJSPIJ-UHFFFAOYSA-N
XLogP5.58
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.26
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile (CID 3035495) is 2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile is N#Cc1ccc(C(F)(F)F)cc1/N=N/Nc1cc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile?
The InChIKey is RDVUDZNNIJSPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F6N5/c17-15(18,19)11-3-1-9(7-23)13(5-11)25-27-26-14-6-12(16(20,21)22)4-2-10(14)8-24/h1-6H,(H,25,26).
What are the key properties of 2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile?
2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile has a molecular weight of 383.26 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-cyano-5-(trifluoromethyl)phenyl]iminohydrazinyl]-4-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 3035495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).