bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+)

C8H8CoF12O8P2 — CID 175761195

IUPACbis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+)
SMILESO=P([O-])(OCC(F)(F)F)OCC(F)(F)F.O=P([O-])(OCC(F)(F)F)OCC(F)(F)F.[Co+2]
InChIInChI=1S/2C4H5F6O4P.Co/c2*5-3(6,7)1-13-15(11,12)14-2-4(8,9)10;/h2*1-2H2,(H,11,12);/q;;+2/p-2
InChIKeyGJCKCLYHNBFZMJ-UHFFFAOYSA-L
MW581.00 g/mol
LogP3.22
Rot. Bonds8

About bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+)

bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+) (PubChem CID 175761195) has the molecular formula C8H8CoF12O8P2 and a molecular weight of 581.00 g/mol. Its IUPAC name is bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+).

Molecular Properties

Compound Namebis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+)
PubChem CID175761195
Molecular FormulaC8H8CoF12O8P2
Molecular Weight581.00 g/mol
Exact Mass580.88
IUPAC Namebis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+)
SMILESO=P([O-])(OCC(F)(F)F)OCC(F)(F)F.O=P([O-])(OCC(F)(F)F)OCC(F)(F)F.[Co+2]
InChIInChI=1S/2C4H5F6O4P.Co/c2*5-3(6,7)1-13-15(11,12)14-2-4(8,9)10;/h2*1-2H2,(H,11,12);/q;;+2/p-2
InChIKeyGJCKCLYHNBFZMJ-UHFFFAOYSA-L
XLogP3.22
TPSA117.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.00
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(2,2,2-trifluoroethyl) phosphate;ethyl-di(propan-2-yl)azanium
CID 162246808
fluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium
CID 175262546
aminomethyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 15184680
2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane
CID 58320064
bis(fluoromethyl) 2,2,2-trifluoroethyl phosphate
CID 170100771
2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
CID 118503856
1,1,1-trifluoro-2-[trichloromethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
CID 13134372
bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine
CID 171929952
2-[[chloro(dideuterio)methyl]-(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane
CID 11808614
alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate
CID 175262525
chloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 154061893
bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine
CID 118073252

Frequently Asked Questions

What is the IUPAC name of bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+)?
The IUPAC name of bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+) (CID 175761195) is bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+).
What is the SMILES notation for bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+)?
The canonical SMILES for bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+) is O=P([O-])(OCC(F)(F)F)OCC(F)(F)F.O=P([O-])(OCC(F)(F)F)OCC(F)(F)F.[Co+2].
What is the InChIKey of bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+)?
The InChIKey is GJCKCLYHNBFZMJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H5F6O4P.Co/c2*5-3(6,7)1-13-15(11,12)14-2-4(8,9)10;/h2*1-2H2,(H,11,12);/q;;+2/p-2.
What are the key properties of bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+)?
bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+) has a molecular weight of 581.00 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+) is sourced from PubChem (CID 175761195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).