[1,1,3,3,3-pentafluoro-2-[[1,1,1,3,3-pentafluoro-2-methyl-3-(oxomethoxy)propan-2-yl]oxymethoxy]propoxy]methanone;pentakis(rutherfordium)

C10H5F10O6Rf5-3 — CID 58017945

IUPAC[1,1,3,3,3-pentafluoro-2-[[1,1,1,3,3-pentafluoro-2-methyl-3-(oxomethoxy)propan-2-yl]oxymethoxy]propoxy]methanone;pentakis(rutherfordium)
SMILESCC(OCO[C-](C(F)(F)F)C(F)(F)O[C-]=O)(C(F)(F)F)C(F)(F)O[C-]=O.[Rf].[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C10H5F10O6.5Rf/c1-6(9(16,17)18,10(19,20)25-3-22)26-4-23-5(7(11,12)13)8(14,15)24-2-21;;;;;/h4H2,1H3;;;;;/q-3;;;;;
InChIKeyURJIJDJKSNVPNJ-UHFFFAOYSA-N
MW1746.12 g/mol
LogP2.75
Rot. Bonds10

About [1,1,3,3,3-pentafluoro-2-[[1,1,1,3,3-pentafluoro-2-methyl-3-(oxomethoxy)propan-2-yl]oxymethoxy]propoxy]methanone;pentakis(rutherfordium)

[1,1,3,3,3-pentafluoro-2-[[1,1,1,3,3-pentafluoro-2-methyl-3-(oxomethoxy)propan-2-yl]oxymethoxy]propoxy]methanone;pentakis(rutherfordium) (PubChem CID 58017945) has the molecular formula C10H5F10O6Rf5-3 and a molecular weight of 1746.12 g/mol. Its IUPAC name is [1,1,3,3,3-pentafluoro-2-[[1,1,1,3,3-pentafluoro-2-methyl-3-(oxomethoxy)propan-2-yl]oxymethoxy]propoxy]methanone;pentakis(rutherfordium).

Molecular Properties

Compound Name[1,1,3,3,3-pentafluoro-2-[[1,1,1,3,3-pentafluoro-2-methyl-3-(oxomethoxy)propan-2-yl]oxymethoxy]propoxy]methanone;pentakis(rutherfordium)
PubChem CID58017945
Molecular FormulaC10H5F10O6Rf5-3
Molecular Weight1746.12 g/mol
Exact Mass1746.60
IUPAC Name[1,1,3,3,3-pentafluoro-2-[[1,1,1,3,3-pentafluoro-2-methyl-3-(oxomethoxy)propan-2-yl]oxymethoxy]propoxy]methanone;pentakis(rutherfordium)
SMILESCC(OCO[C-](C(F)(F)F)C(F)(F)O[C-]=O)(C(F)(F)F)C(F)(F)O[C-]=O.[Rf].[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C10H5F10O6.5Rf/c1-6(9(16,17)18,10(19,20)25-3-22)26-4-23-5(7(11,12)13)8(14,15)24-2-21;;;;;/h4H2,1H3;;;;;/q-3;;;;;
InChIKeyURJIJDJKSNVPNJ-UHFFFAOYSA-N
XLogP2.75
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001746.12
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,1,3,3,3-pentafluoro-2-[[1,1,1,3,3-pentafluoro-2-methyl-3-(oxomethoxy)propan-2-yl]oxymethoxy]propoxy]methanone;pentakis(rutherfordium)?
The IUPAC name of [1,1,3,3,3-pentafluoro-2-[[1,1,1,3,3-pentafluoro-2-methyl-3-(oxomethoxy)propan-2-yl]oxymethoxy]propoxy]methanone;pentakis(rutherfordium) (CID 58017945) is [1,1,3,3,3-pentafluoro-2-[[1,1,1,3,3-pentafluoro-2-methyl-3-(oxomethoxy)propan-2-yl]oxymethoxy]propoxy]methanone;pentakis(rutherfordium).
What is the SMILES notation for [1,1,3,3,3-pentafluoro-2-[[1,1,1,3,3-pentafluoro-2-methyl-3-(oxomethoxy)propan-2-yl]oxymethoxy]propoxy]methanone;pentakis(rutherfordium)?
The canonical SMILES for [1,1,3,3,3-pentafluoro-2-[[1,1,1,3,3-pentafluoro-2-methyl-3-(oxomethoxy)propan-2-yl]oxymethoxy]propoxy]methanone;pentakis(rutherfordium) is CC(OCO[C-](C(F)(F)F)C(F)(F)O[C-]=O)(C(F)(F)F)C(F)(F)O[C-]=O.[Rf].[Rf].[Rf].[Rf].[Rf].
What is the InChIKey of [1,1,3,3,3-pentafluoro-2-[[1,1,1,3,3-pentafluoro-2-methyl-3-(oxomethoxy)propan-2-yl]oxymethoxy]propoxy]methanone;pentakis(rutherfordium)?
The InChIKey is URJIJDJKSNVPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F10O6.5Rf/c1-6(9(16,17)18,10(19,20)25-3-22)26-4-23-5(7(11,12)13)8(14,15)24-2-21;;;;;/h4H2,1H3;;;;;/q-3;;;;;.
What are the key properties of [1,1,3,3,3-pentafluoro-2-[[1,1,1,3,3-pentafluoro-2-methyl-3-(oxomethoxy)propan-2-yl]oxymethoxy]propoxy]methanone;pentakis(rutherfordium)?
[1,1,3,3,3-pentafluoro-2-[[1,1,1,3,3-pentafluoro-2-methyl-3-(oxomethoxy)propan-2-yl]oxymethoxy]propoxy]methanone;pentakis(rutherfordium) has a molecular weight of 1746.12 g/mol, XLogP of 2.75, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,3,3,3-pentafluoro-2-[[1,1,1,3,3-pentafluoro-2-methyl-3-(oxomethoxy)propan-2-yl]oxymethoxy]propoxy]methanone;pentakis(rutherfordium) is sourced from PubChem (CID 58017945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).