1-[2-(2,2,3,3,4,4-hexafluoropentanoyloxy)propylsulfanyl]propan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;bis(rutherfordium)

C16H13F15O4Rf2S-2 — CID 59663981

IUPAC1-[2-(2,2,3,3,4,4-hexafluoropentanoyloxy)propylsulfanyl]propan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;bis(rutherfordium)
SMILES[CH2-]C(CSCC([CH2-])OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)C(C)(F)F.[Rf].[Rf]
InChIInChI=1S/C16H13F15O4S.2Rf/c1-6(34-8(32)11(19,20)13(23,24)10(3,17)18)4-36-5-7(2)35-9(33)12(21,22)14(25,26)15(27,28)16(29,30)31;;/h6-7H,1-2,4-5H2,3H3;;/q-2;;
InChIKeyNHKLBLAWBYKZHV-UHFFFAOYSA-N
MW1120.31 g/mol
LogP5.61
Rot. Bonds12

About 1-[2-(2,2,3,3,4,4-hexafluoropentanoyloxy)propylsulfanyl]propan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;bis(rutherfordium)

1-[2-(2,2,3,3,4,4-hexafluoropentanoyloxy)propylsulfanyl]propan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;bis(rutherfordium) (PubChem CID 59663981) has the molecular formula C16H13F15O4Rf2S-2 and a molecular weight of 1120.31 g/mol. Its IUPAC name is 1-[2-(2,2,3,3,4,4-hexafluoropentanoyloxy)propylsulfanyl]propan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;bis(rutherfordium).

Molecular Properties

Compound Name1-[2-(2,2,3,3,4,4-hexafluoropentanoyloxy)propylsulfanyl]propan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;bis(rutherfordium)
PubChem CID59663981
Molecular FormulaC16H13F15O4Rf2S-2
Molecular Weight1120.31 g/mol
Exact Mass1120.27
IUPAC Name1-[2-(2,2,3,3,4,4-hexafluoropentanoyloxy)propylsulfanyl]propan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;bis(rutherfordium)
SMILES[CH2-]C(CSCC([CH2-])OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)C(C)(F)F.[Rf].[Rf]
InChIInChI=1S/C16H13F15O4S.2Rf/c1-6(34-8(32)11(19,20)13(23,24)10(3,17)18)4-36-5-7(2)35-9(33)12(21,22)14(25,26)15(27,28)16(29,30)31;;/h6-7H,1-2,4-5H2,3H3;;/q-2;;
InChIKeyNHKLBLAWBYKZHV-UHFFFAOYSA-N
XLogP5.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001120.31
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,3,3,4,4-hexafluoropentanoyloxy)propylsulfanyl]propan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;bis(rutherfordium)?
The IUPAC name of 1-[2-(2,2,3,3,4,4-hexafluoropentanoyloxy)propylsulfanyl]propan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;bis(rutherfordium) (CID 59663981) is 1-[2-(2,2,3,3,4,4-hexafluoropentanoyloxy)propylsulfanyl]propan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;bis(rutherfordium).
What is the SMILES notation for 1-[2-(2,2,3,3,4,4-hexafluoropentanoyloxy)propylsulfanyl]propan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;bis(rutherfordium)?
The canonical SMILES for 1-[2-(2,2,3,3,4,4-hexafluoropentanoyloxy)propylsulfanyl]propan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;bis(rutherfordium) is [CH2-]C(CSCC([CH2-])OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)C(C)(F)F.[Rf].[Rf].
What is the InChIKey of 1-[2-(2,2,3,3,4,4-hexafluoropentanoyloxy)propylsulfanyl]propan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;bis(rutherfordium)?
The InChIKey is NHKLBLAWBYKZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F15O4S.2Rf/c1-6(34-8(32)11(19,20)13(23,24)10(3,17)18)4-36-5-7(2)35-9(33)12(21,22)14(25,26)15(27,28)16(29,30)31;;/h6-7H,1-2,4-5H2,3H3;;/q-2;;.
What are the key properties of 1-[2-(2,2,3,3,4,4-hexafluoropentanoyloxy)propylsulfanyl]propan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;bis(rutherfordium)?
1-[2-(2,2,3,3,4,4-hexafluoropentanoyloxy)propylsulfanyl]propan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;bis(rutherfordium) has a molecular weight of 1120.31 g/mol, XLogP of 5.61, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,3,3,4,4-hexafluoropentanoyloxy)propylsulfanyl]propan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate;bis(rutherfordium) is sourced from PubChem (CID 59663981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).