2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate

C5H4F8O4S — CID 11525234

IUPAC2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate
SMILESO=S(=O)(O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H4F8O4S/c6-2(7)4(10,11)5(12,13)3(8,9)1-17-18(14,15)16/h2H,1H2,(H,14,15,16)
InChIKeyIIAOVMCGUVEGDU-UHFFFAOYSA-N
MW312.13 g/mol
LogP1.98
Rot. Bonds6

About 2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate

2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate (PubChem CID 11525234) has the molecular formula C5H4F8O4S and a molecular weight of 312.13 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate
PubChem CID11525234
Molecular FormulaC5H4F8O4S
Molecular Weight312.13 g/mol
Exact Mass311.97
IUPAC Name2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate
SMILESO=S(=O)(O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H4F8O4S/c6-2(7)4(10,11)5(12,13)3(8,9)1-17-18(14,15)16/h2H,1H2,(H,14,15,16)
InChIKeyIIAOVMCGUVEGDU-UHFFFAOYSA-N
XLogP1.98
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

mHPFSO4 n=3
CID 139594893
mHPFSO4 n=2
CID 139595568
2:2 Fluorotelomer alcohol sulfate
CID 162396676
4:2 Fluorotelomer alcohol sulfate
CID 162396679
4,4,5,5,5-Pentafluoropentyl hydrogen sulfate
CID 86233917
2,2,3,3-Tetrafluoropropyl hydrogen sulfate
CID 12650402
1-Heptanol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-, 1-(hydrogen sulfate)
CID 12650403
(2,2,3,3,4,4,5,5-Octafluoropentylsulfate)anion
CID 59008522
2,2,3,3,4,4,4-Heptafluorobutyl hydrogen sulfate
CID 86080368
1,3,3,3-Tetrafluoropropyl hydrogen sulfate
CID 87624400
1,1,1,5,5,5-Hexafluoropentan-3-yl hydrogen sulfate
CID 87624901
1,1,1,2,2,5,5,5-Octafluoropentan-3-yl hydrogen sulfate
CID 87624973

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate (CID 11525234) is 2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate is O=S(=O)(O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate?
The InChIKey is IIAOVMCGUVEGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O4S/c6-2(7)4(10,11)5(12,13)3(8,9)1-17-18(14,15)16/h2H,1H2,(H,14,15,16).
What are the key properties of 2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate?
2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate has a molecular weight of 312.13 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoropentyl hydrogen sulfate is sourced from PubChem (CID 11525234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).