5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile

C15H6F6IN3 — CID 24774060

IUPAC5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(N/N=C(/c2ccc(I)c(F)c2F)C(F)(F)F)ccc1F
InChIInChI=1S/C15H6F6IN3/c16-10-3-1-8(5-7(10)6-23)24-25-14(15(19,20)21)9-2-4-11(22)13(18)12(9)17/h1-5,24H/b25-14-
InChIKeyKCWZPIFYQABCSC-QFEZKATASA-N
MW469.13 g/mol
LogP4.96
Rot. Bonds3

About 5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile

5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile (PubChem CID 24774060) has the molecular formula C15H6F6IN3 and a molecular weight of 469.13 g/mol. Its IUPAC name is 5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile
PubChem CID24774060
Molecular FormulaC15H6F6IN3
Molecular Weight469.13 g/mol
Exact Mass468.95
IUPAC Name5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(N/N=C(/c2ccc(I)c(F)c2F)C(F)(F)F)ccc1F
InChIInChI=1S/C15H6F6IN3/c16-10-3-1-8(5-7(10)6-23)24-25-14(15(19,20)21)9-2-4-11(22)13(18)12(9)17/h1-5,24H/b25-14-
InChIKeyKCWZPIFYQABCSC-QFEZKATASA-N
XLogP4.96
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.13
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[(3-cyano-4-fluorophenyl)hydrazinylidene]-2-(2,3-difluoro-4-iodophenyl)acetamide
CID 140506406
(1Z)-N-(3-cyano-4-fluorophenyl)-1-methylsulfonylmethanehydrazonoyl chloride
CID 87958570
N'-(3-cyano-4-fluorophenyl)-2,2,2-trifluoroacetohydrazide;2-fluoro-5-[(2E)-2-(1,1,1-trifluorobutan-2-ylidene)hydrazinyl]benzonitrile
CID 172920960
2-fluoro-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]benzonitrile
CID 63899643
4-[(3-cyano-4-fluoroanilino)methyl]-2-fluorobenzoic acid
CID 106699964
5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
5-anilino-2-fluorobenzonitrile
CID 166901089
4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile
CID 169337793
2-(3-cyano-4-fluoroanilino)ethene-1,1,2-tricarbonitrile
CID 168610628
N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343561
4-chloro-N-(3-cyano-4-fluorophenyl)-2-hydroxybenzamide
CID 62316486
2-amino-N-(3-cyano-4-fluorophenyl)-2-methylpropanamide
CID 62315656

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile?
The IUPAC name of 5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile (CID 24774060) is 5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile is N#Cc1cc(N/N=C(/c2ccc(I)c(F)c2F)C(F)(F)F)ccc1F.
What is the InChIKey of 5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile?
The InChIKey is KCWZPIFYQABCSC-QFEZKATASA-N. The full InChI is InChI=1S/C15H6F6IN3/c16-10-3-1-8(5-7(10)6-23)24-25-14(15(19,20)21)9-2-4-11(22)13(18)12(9)17/h1-5,24H/b25-14-.
What are the key properties of 5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile?
5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile has a molecular weight of 469.13 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-2-[1-(2,3-difluoro-4-iodophenyl)-2,2,2-trifluoroethylidene]hydrazinyl]-2-fluorobenzonitrile is sourced from PubChem (CID 24774060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).