nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene

C20H16F5Ni- — CID 87365885

IUPACnickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene
SMILESCc1ccccc1.Cc1ccccc1.Fc1[c-]c(F)c(F)c(F)c1F.[Ni]
InChIInChI=1S/2C7H8.C6F5.Ni/c2*1-7-5-3-2-4-6-7;7-2-1-3(8)5(10)6(11)4(2)9;/h2*2-6H,1H3;;/q;;-1;
InChIKeyGKHZCMXHQINKLA-UHFFFAOYSA-N
MW410.03 g/mol
LogP6.17
Rot. Bonds

About nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene

nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene (PubChem CID 87365885) has the molecular formula C20H16F5Ni- and a molecular weight of 410.03 g/mol. Its IUPAC name is nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene.

Molecular Properties

Compound Namenickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene
PubChem CID87365885
Molecular FormulaC20H16F5Ni-
Molecular Weight410.03 g/mol
Exact Mass409.05
IUPAC Namenickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene
SMILESCc1ccccc1.Cc1ccccc1.Fc1[c-]c(F)c(F)c(F)c1F.[Ni]
InChIInChI=1S/2C7H8.C6F5.Ni/c2*1-7-5-3-2-4-6-7;7-2-1-3(8)5(10)6(11)4(2)9;/h2*2-6H,1H3;;/q;;-1;
InChIKeyGKHZCMXHQINKLA-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.03
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene 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 nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene?
The IUPAC name of nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene (CID 87365885) is nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene.
What is the SMILES notation for nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene?
The canonical SMILES for nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene is Cc1ccccc1.Cc1ccccc1.Fc1[c-]c(F)c(F)c(F)c1F.[Ni].
What is the InChIKey of nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene?
The InChIKey is GKHZCMXHQINKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8.C6F5.Ni/c2*1-7-5-3-2-4-6-7;7-2-1-3(8)5(10)6(11)4(2)9;/h2*2-6H,1H3;;/q;;-1;.
What are the key properties of nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene?
nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene has a molecular weight of 410.03 g/mol, XLogP of 6.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene is sourced from PubChem (CID 87365885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).