rutherfordium;2,5,5,5-tetrafluoro-4-methoxycarbonyl-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]pentanoic acid

C11H14F4O6RfS — CID 59904165

IUPACrutherfordium;2,5,5,5-tetrafluoro-4-methoxycarbonyl-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]pentanoic acid
SMILESCOC(=O)CSCC(CC(F)C(=O)O)(C(=O)OC)C(F)(F)F.[Rf]
InChIInChI=1S/C11H14F4O6S.Rf/c1-20-7(16)4-22-5-10(9(19)21-2,11(13,14)15)3-6(12)8(17)18;/h6H,3-5H2,1-2H3,(H,17,18);
InChIKeyMAQXDCMLEPBPSH-UHFFFAOYSA-N
MW617.29 g/mol
LogP1.43
Rot. Bonds8

About rutherfordium;2,5,5,5-tetrafluoro-4-methoxycarbonyl-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]pentanoic acid

rutherfordium;2,5,5,5-tetrafluoro-4-methoxycarbonyl-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]pentanoic acid (PubChem CID 59904165) has the molecular formula C11H14F4O6RfS and a molecular weight of 617.29 g/mol. Its IUPAC name is rutherfordium;2,5,5,5-tetrafluoro-4-methoxycarbonyl-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]pentanoic acid.

Molecular Properties

Compound Namerutherfordium;2,5,5,5-tetrafluoro-4-methoxycarbonyl-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]pentanoic acid
PubChem CID59904165
Molecular FormulaC11H14F4O6RfS
Molecular Weight617.29 g/mol
Exact Mass617.17
IUPAC Namerutherfordium;2,5,5,5-tetrafluoro-4-methoxycarbonyl-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]pentanoic acid
SMILESCOC(=O)CSCC(CC(F)C(=O)O)(C(=O)OC)C(F)(F)F.[Rf]
InChIInChI=1S/C11H14F4O6S.Rf/c1-20-7(16)4-22-5-10(9(19)21-2,11(13,14)15)3-6(12)8(17)18;/h6H,3-5H2,1-2H3,(H,17,18);
InChIKeyMAQXDCMLEPBPSH-UHFFFAOYSA-N
XLogP1.43
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of rutherfordium;2,5,5,5-tetrafluoro-4-methoxycarbonyl-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]pentanoic acid?
The IUPAC name of rutherfordium;2,5,5,5-tetrafluoro-4-methoxycarbonyl-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]pentanoic acid (CID 59904165) is rutherfordium;2,5,5,5-tetrafluoro-4-methoxycarbonyl-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]pentanoic acid.
What is the SMILES notation for rutherfordium;2,5,5,5-tetrafluoro-4-methoxycarbonyl-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]pentanoic acid?
The canonical SMILES for rutherfordium;2,5,5,5-tetrafluoro-4-methoxycarbonyl-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]pentanoic acid is COC(=O)CSCC(CC(F)C(=O)O)(C(=O)OC)C(F)(F)F.[Rf].
What is the InChIKey of rutherfordium;2,5,5,5-tetrafluoro-4-methoxycarbonyl-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]pentanoic acid?
The InChIKey is MAQXDCMLEPBPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4O6S.Rf/c1-20-7(16)4-22-5-10(9(19)21-2,11(13,14)15)3-6(12)8(17)18;/h6H,3-5H2,1-2H3,(H,17,18);.
What are the key properties of rutherfordium;2,5,5,5-tetrafluoro-4-methoxycarbonyl-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]pentanoic acid?
rutherfordium;2,5,5,5-tetrafluoro-4-methoxycarbonyl-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]pentanoic acid has a molecular weight of 617.29 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for rutherfordium;2,5,5,5-tetrafluoro-4-methoxycarbonyl-4-[(2-methoxy-2-oxoethyl)sulfanylmethyl]pentanoic acid is sourced from PubChem (CID 59904165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).