bis((Z)-1,2-bis(2-fluoroethylsulfanyl)ethene-1,2-dithiolate);nickel

C12H16F4NiS8-4 — CID 59155655

IUPACbis((Z)-1,2-bis(2-fluoroethylsulfanyl)ethene-1,2-dithiolate);nickel
SMILESFCCS/C([S-])=C(/[S-])SCCF.FCCS/C([S-])=C(/[S-])SCCF.[Ni]
InChIInChI=1S/2C6H10F2S4.Ni/c2*7-1-3-11-5(9)6(10)12-4-2-8;/h2*9-10H,1-4H2;/p-4/b2*6-5-;
InChIKeyZFMQCQMNTDZVER-VKRZFSCASA-J
MW551.48 g/mol
LogP5.22
Rot. Bonds12

About bis((Z)-1,2-bis(2-fluoroethylsulfanyl)ethene-1,2-dithiolate);nickel

bis((Z)-1,2-bis(2-fluoroethylsulfanyl)ethene-1,2-dithiolate);nickel (PubChem CID 59155655) has the molecular formula C12H16F4NiS8-4 and a molecular weight of 551.48 g/mol. Its IUPAC name is bis((Z)-1,2-bis(2-fluoroethylsulfanyl)ethene-1,2-dithiolate);nickel.

Molecular Properties

Compound Namebis((Z)-1,2-bis(2-fluoroethylsulfanyl)ethene-1,2-dithiolate);nickel
PubChem CID59155655
Molecular FormulaC12H16F4NiS8-4
Molecular Weight551.48 g/mol
Exact Mass549.83
IUPAC Namebis((Z)-1,2-bis(2-fluoroethylsulfanyl)ethene-1,2-dithiolate);nickel
SMILESFCCS/C([S-])=C(/[S-])SCCF.FCCS/C([S-])=C(/[S-])SCCF.[Ni]
InChIInChI=1S/2C6H10F2S4.Ni/c2*7-1-3-11-5(9)6(10)12-4-2-8;/h2*9-10H,1-4H2;/p-4/b2*6-5-;
InChIKeyZFMQCQMNTDZVER-VKRZFSCASA-J
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.48
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis((Z)-1,2-bis(2-fluoroethylsulfanyl)ethene-1,2-dithiolate);nickel?
The IUPAC name of bis((Z)-1,2-bis(2-fluoroethylsulfanyl)ethene-1,2-dithiolate);nickel (CID 59155655) is bis((Z)-1,2-bis(2-fluoroethylsulfanyl)ethene-1,2-dithiolate);nickel.
What is the SMILES notation for bis((Z)-1,2-bis(2-fluoroethylsulfanyl)ethene-1,2-dithiolate);nickel?
The canonical SMILES for bis((Z)-1,2-bis(2-fluoroethylsulfanyl)ethene-1,2-dithiolate);nickel is FCCS/C([S-])=C(/[S-])SCCF.FCCS/C([S-])=C(/[S-])SCCF.[Ni].
What is the InChIKey of bis((Z)-1,2-bis(2-fluoroethylsulfanyl)ethene-1,2-dithiolate);nickel?
The InChIKey is ZFMQCQMNTDZVER-VKRZFSCASA-J. The full InChI is InChI=1S/2C6H10F2S4.Ni/c2*7-1-3-11-5(9)6(10)12-4-2-8;/h2*9-10H,1-4H2;/p-4/b2*6-5-;.
What are the key properties of bis((Z)-1,2-bis(2-fluoroethylsulfanyl)ethene-1,2-dithiolate);nickel?
bis((Z)-1,2-bis(2-fluoroethylsulfanyl)ethene-1,2-dithiolate);nickel has a molecular weight of 551.48 g/mol, XLogP of 5.22, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-1,2-bis(2-fluoroethylsulfanyl)ethene-1,2-dithiolate);nickel is sourced from PubChem (CID 59155655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).