2,2,4,4,6,6,8,8,10,10-decafluorodecyl hydrogen sulfate

C10H12F10O4S — CID 163324516

IUPAC2,2,4,4,6,6,8,8,10,10-decafluorodecyl hydrogen sulfate
SMILESO=S(=O)(O)OCC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)F
InChIInChI=1S/C10H12F10O4S/c11-6(12)1-7(13,14)2-8(15,16)3-9(17,18)4-10(19,20)5-24-25(21,22)23/h6H,1-5H2,(H,21,22,23)
InChIKeyFZLFLWRBHJMMPJ-UHFFFAOYSA-N
MW418.25 g/mol
LogP4.17
Rot. Bonds11

About 2,2,4,4,6,6,8,8,10,10-decafluorodecyl hydrogen sulfate

2,2,4,4,6,6,8,8,10,10-decafluorodecyl hydrogen sulfate (PubChem CID 163324516) has the molecular formula C10H12F10O4S and a molecular weight of 418.25 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8,10,10-decafluorodecyl hydrogen sulfate.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8,10,10-decafluorodecyl hydrogen sulfate
PubChem CID163324516
Molecular FormulaC10H12F10O4S
Molecular Weight418.25 g/mol
Exact Mass418.03
IUPAC Name2,2,4,4,6,6,8,8,10,10-decafluorodecyl hydrogen sulfate
SMILESO=S(=O)(O)OCC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)F
InChIInChI=1S/C10H12F10O4S/c11-6(12)1-7(13,14)2-8(15,16)3-9(17,18)4-10(19,20)5-24-25(21,22)23/h6H,1-5H2,(H,21,22,23)
InChIKeyFZLFLWRBHJMMPJ-UHFFFAOYSA-N
XLogP4.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.25
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8,10,10-decafluorodecyl hydrogen sulfate?
The IUPAC name of 2,2,4,4,6,6,8,8,10,10-decafluorodecyl hydrogen sulfate (CID 163324516) is 2,2,4,4,6,6,8,8,10,10-decafluorodecyl hydrogen sulfate.
What is the SMILES notation for 2,2,4,4,6,6,8,8,10,10-decafluorodecyl hydrogen sulfate?
The canonical SMILES for 2,2,4,4,6,6,8,8,10,10-decafluorodecyl hydrogen sulfate is O=S(=O)(O)OCC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)F.
What is the InChIKey of 2,2,4,4,6,6,8,8,10,10-decafluorodecyl hydrogen sulfate?
The InChIKey is FZLFLWRBHJMMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F10O4S/c11-6(12)1-7(13,14)2-8(15,16)3-9(17,18)4-10(19,20)5-24-25(21,22)23/h6H,1-5H2,(H,21,22,23).
What are the key properties of 2,2,4,4,6,6,8,8,10,10-decafluorodecyl hydrogen sulfate?
2,2,4,4,6,6,8,8,10,10-decafluorodecyl hydrogen sulfate has a molecular weight of 418.25 g/mol, XLogP of 4.17, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8,10,10-decafluorodecyl hydrogen sulfate is sourced from PubChem (CID 163324516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).