dichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium)

C56H120Cl2CoF2P2 — CID 161462997

IUPACdichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium)
SMILESCCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.F[Co-2](F)(Cl)Cl
InChIInChI=1S/2C28H60P.2ClH.Co.2FH/c2*1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;;;;;/h2*5-28H2,1-4H3;2*1H;;2*1H/q2*+1;;;+2;;/p-4
InChIKeyYZPIRWZGAOJKEI-UHFFFAOYSA-J
MW1023.36 g/mol
LogP23.99
Rot. Bonds48

About dichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium)

dichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium) (PubChem CID 161462997) has the molecular formula C56H120Cl2CoF2P2 and a molecular weight of 1023.36 g/mol. Its IUPAC name is dichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium).

Molecular Properties

Compound Namedichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium)
PubChem CID161462997
Molecular FormulaC56H120Cl2CoF2P2
Molecular Weight1023.36 g/mol
Exact Mass1021.75
IUPAC Namedichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium)
SMILESCCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.F[Co-2](F)(Cl)Cl
InChIInChI=1S/2C28H60P.2ClH.Co.2FH/c2*1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;;;;;/h2*5-28H2,1-4H3;2*1H;;2*1H/q2*+1;;;+2;;/p-4
InChIKeyYZPIRWZGAOJKEI-UHFFFAOYSA-J
XLogP23.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds48
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.36
LogP ≤ 523.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tribromo(fluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium)
CID 161305479
tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
butyl(triheptyl)phosphanium
CID 87777247
dibromo(dichloro)cobalt(2-);tributyl(8-tributylphosphaniumyloctyl)phosphanium
CID 160733606
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209
dibutyl(didecyl)phosphanium chloride
CID 87777295
azane;tributyl(hexadecyl)phosphanium
CID 172712894
tributyl(pentadecyl)phosphanium bromide
CID 86639781
antimony(3+);tributyl(dodecyl)phosphanium
CID 158196922
dibutyl(didecyl)phosphanium iodide
CID 87776919
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391

Frequently Asked Questions

What is the IUPAC name of dichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium)?
The IUPAC name of dichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium) (CID 161462997) is dichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium).
What is the SMILES notation for dichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium)?
The canonical SMILES for dichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium) is CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.F[Co-2](F)(Cl)Cl.
What is the InChIKey of dichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium)?
The InChIKey is YZPIRWZGAOJKEI-UHFFFAOYSA-J. The full InChI is InChI=1S/2C28H60P.2ClH.Co.2FH/c2*1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;;;;;/h2*5-28H2,1-4H3;2*1H;;2*1H/q2*+1;;;+2;;/p-4.
What are the key properties of dichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium)?
dichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium) has a molecular weight of 1023.36 g/mol, XLogP of 23.99, 48 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(difluoro)cobalt(2-);bis(tributyl(hexadecyl)phosphanium) is sourced from PubChem (CID 161462997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).