2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;1,1,1,4,4,4-hexafluorobut-2-yne;nickel

C18H32F6NiP2 — CID 11016358

IUPAC2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;1,1,1,4,4,4-hexafluorobut-2-yne;nickel
SMILESCC(C)P(CCP(C(C)C)C(C)C)C(C)C.FC(F)(F)C#CC(F)(F)F.[Ni]
InChIInChI=1S/C14H32P2.C4F6.Ni/c1-11(2)15(12(3)4)9-10-16(13(5)6)14(7)8;5-3(6,7)1-2-4(8,9)10;/h11-14H,9-10H2,1-8H3;;
InChIKeyJARVMYLZFCHETC-UHFFFAOYSA-N
MW483.08 g/mol
LogP7.70
Rot. Bonds7

About 2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;1,1,1,4,4,4-hexafluorobut-2-yne;nickel

2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;1,1,1,4,4,4-hexafluorobut-2-yne;nickel (PubChem CID 11016358) has the molecular formula C18H32F6NiP2 and a molecular weight of 483.08 g/mol. Its IUPAC name is 2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;1,1,1,4,4,4-hexafluorobut-2-yne;nickel.

Molecular Properties

Compound Name2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;1,1,1,4,4,4-hexafluorobut-2-yne;nickel
PubChem CID11016358
Molecular FormulaC18H32F6NiP2
Molecular Weight483.08 g/mol
Exact Mass482.12
IUPAC Name2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;1,1,1,4,4,4-hexafluorobut-2-yne;nickel
SMILESCC(C)P(CCP(C(C)C)C(C)C)C(C)C.FC(F)(F)C#CC(F)(F)F.[Ni]
InChIInChI=1S/C14H32P2.C4F6.Ni/c1-11(2)15(12(3)4)9-10-16(13(5)6)14(7)8;5-3(6,7)1-2-4(8,9)10;/h11-14H,9-10H2,1-8H3;;
InChIKeyJARVMYLZFCHETC-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.08
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane);bis(rhodium)
CID 10952707
1,1,1,4,4,4-hexafluorobut-2-yne
CID 178077881
2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;ethene;palladium
CID 15876186
bis(4-di(propan-2-yl)phosphanylbutyl-di(propan-2-yl)phosphane);palladium
CID 11061444
bis(acetonitrile);3-di(propan-2-yl)phosphanylpropyl-di(propan-2-yl)phosphane;palladium(2+);ditetrafluoroborate
CID 173222970
carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium
CID 134981239
formaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium
CID 173175881
1,1,1,4,4,5,5,6-octafluorohex-2-yne
CID 87288466
1,1,1-trifluoro-4-methyldec-2-yne
CID 89106520
dichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine)
CID 71310888
2-ethoxy-1,1,1,5,5,5-hexafluoropent-3-yn-2-ol
CID 140706155
8,8,8-trifluorooct-6-yn-4-ol
CID 154382545

Frequently Asked Questions

What is the IUPAC name of 2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;1,1,1,4,4,4-hexafluorobut-2-yne;nickel?
The IUPAC name of 2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;1,1,1,4,4,4-hexafluorobut-2-yne;nickel (CID 11016358) is 2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;1,1,1,4,4,4-hexafluorobut-2-yne;nickel.
What is the SMILES notation for 2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;1,1,1,4,4,4-hexafluorobut-2-yne;nickel?
The canonical SMILES for 2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;1,1,1,4,4,4-hexafluorobut-2-yne;nickel is CC(C)P(CCP(C(C)C)C(C)C)C(C)C.FC(F)(F)C#CC(F)(F)F.[Ni].
What is the InChIKey of 2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;1,1,1,4,4,4-hexafluorobut-2-yne;nickel?
The InChIKey is JARVMYLZFCHETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32P2.C4F6.Ni/c1-11(2)15(12(3)4)9-10-16(13(5)6)14(7)8;5-3(6,7)1-2-4(8,9)10;/h11-14H,9-10H2,1-8H3;;.
What are the key properties of 2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;1,1,1,4,4,4-hexafluorobut-2-yne;nickel?
2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;1,1,1,4,4,4-hexafluorobut-2-yne;nickel has a molecular weight of 483.08 g/mol, XLogP of 7.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yl)phosphanylethyl-di(propan-2-yl)phosphane;1,1,1,4,4,4-hexafluorobut-2-yne;nickel is sourced from PubChem (CID 11016358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).