disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate

C4F8Na2O2 — CID 170558309

IUPACdisodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate
SMILES[Na+].[Na+].[O-]C(F)(F)C(F)(F)C(F)(F)C([O-])(F)F
InChIInChI=1S/C4F8O2.2Na/c5-1(6,3(9,10)13)2(7,8)4(11,12)14;;/q-2;2*+1
InChIKeyNYFZOFJFKTUBAR-UHFFFAOYSA-N
MW278.01 g/mol
LogP-5.83
Rot. Bonds3

About disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate

disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate (PubChem CID 170558309) has the molecular formula C4F8Na2O2 and a molecular weight of 278.01 g/mol. Its IUPAC name is disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate.

Molecular Properties

Compound Namedisodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate
PubChem CID170558309
Molecular FormulaC4F8Na2O2
Molecular Weight278.01 g/mol
Exact Mass277.96
IUPAC Namedisodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate
SMILES[Na+].[Na+].[O-]C(F)(F)C(F)(F)C(F)(F)C([O-])(F)F
InChIInChI=1S/C4F8O2.2Na/c5-1(6,3(9,10)13)2(7,8)4(11,12)14;;/q-2;2*+1
InChIKeyNYFZOFJFKTUBAR-UHFFFAOYSA-N
XLogP-5.83
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.01
LogP ≤ 5-5.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecan-1-olate
CID 176897459
sodium trifluoromethanolate
CID 23669108
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctan-1-olate;tetramethylazanium
CID 162346584
lithium;1,1,2,2,3,3,4,4-octafluoropentan-1-olate;phosphoric acid
CID 174877964
lithium trifluoromethanolate
CID 20660966
potassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate
CID 156775939
sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate
CID 23682889
cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate)
CID 173155428
potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate
CID 23686533
lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate
CID 88813201
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
lithium;boric acid;trifluoromethanolate
CID 159254971

Frequently Asked Questions

What is the IUPAC name of disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate?
The IUPAC name of disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate (CID 170558309) is disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate.
What is the SMILES notation for disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate?
The canonical SMILES for disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate is [Na+].[Na+].[O-]C(F)(F)C(F)(F)C(F)(F)C([O-])(F)F.
What is the InChIKey of disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate?
The InChIKey is NYFZOFJFKTUBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F8O2.2Na/c5-1(6,3(9,10)13)2(7,8)4(11,12)14;;/q-2;2*+1.
What are the key properties of disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate?
disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate has a molecular weight of 278.01 g/mol, XLogP of -5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate is sourced from PubChem (CID 170558309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).