nickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate)

C12F8NiS4-4 — CID 153483427

IUPACnickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate)
SMILESFc1c(F)c(F)c([S-])c([S-])c1F.Fc1c(F)c(F)c([S-])c([S-])c1F.[Ni]
InChIInChI=1S/2C6H2F4S2.Ni/c2*7-1-2(8)4(10)6(12)5(11)3(1)9;/h2*11-12H;/p-4
InChIKeyYYZQMINEYFYWNF-UHFFFAOYSA-J
MW483.08 g/mol
LogP4.11
Rot. Bonds

About nickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate)

nickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate) (PubChem CID 153483427) has the molecular formula C12F8NiS4-4 and a molecular weight of 483.08 g/mol. Its IUPAC name is nickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate).

Molecular Properties

Compound Namenickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate)
PubChem CID153483427
Molecular FormulaC12F8NiS4-4
Molecular Weight483.08 g/mol
Exact Mass481.81
IUPAC Namenickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate)
SMILESFc1c(F)c(F)c([S-])c([S-])c1F.Fc1c(F)c(F)c([S-])c([S-])c1F.[Ni]
InChIInChI=1S/2C6H2F4S2.Ni/c2*7-1-2(8)4(10)6(12)5(11)3(1)9;/h2*11-12H;/p-4
InChIKeyYYZQMINEYFYWNF-UHFFFAOYSA-J
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.08
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

manganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate)
CID 122226400
dizinc;3,6-dichlorobenzene-1,2-dithiolate;3,4,5,6-tetrafluorobenzene-1,2-dithiolate
CID 159533512
CID 159997610
CID 159997610
(2,3,4,5,6-pentafluorophenyl)azanium chloride
CID 139117031
aluminum;diheptylalumanylium;tetrakis(2,3,4,5,6-pentafluorobenzenethiolate)
CID 174808459
1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotriphenylene
CID 12871319
1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 22497144
2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene
CID 45090416
2,3,5,6-tetrafluorobenzene-1,4-dithiol
CID 12529684
chloroform;1,2,3,4,5,6-hexafluorobenzene
CID 88844681
1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 15490453
2,3,4,5,6-pentafluorobenzenecarbodithioate;tetramethylazanium
CID 11313144

Frequently Asked Questions

What is the IUPAC name of nickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate)?
The IUPAC name of nickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate) (CID 153483427) is nickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate).
What is the SMILES notation for nickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate)?
The canonical SMILES for nickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate) is Fc1c(F)c(F)c([S-])c([S-])c1F.Fc1c(F)c(F)c([S-])c([S-])c1F.[Ni].
What is the InChIKey of nickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate)?
The InChIKey is YYZQMINEYFYWNF-UHFFFAOYSA-J. The full InChI is InChI=1S/2C6H2F4S2.Ni/c2*7-1-2(8)4(10)6(12)5(11)3(1)9;/h2*11-12H;/p-4.
What are the key properties of nickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate)?
nickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate) has a molecular weight of 483.08 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;bis(3,4,5,6-tetrafluorobenzene-1,2-dithiolate) is sourced from PubChem (CID 153483427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).