1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate

C5HF11O4S — CID 88532735

IUPAC1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate
SMILESO=S(=O)(O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HF11O4S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20-21(17,18)19/h(H,17,18,19)
InChIKeyJSHYUYFUQIVENT-UHFFFAOYSA-N
MW366.10 g/mol
LogP2.87
Rot. Bonds5

About 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate

1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate (PubChem CID 88532735) has the molecular formula C5HF11O4S and a molecular weight of 366.10 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate
PubChem CID88532735
Molecular FormulaC5HF11O4S
Molecular Weight366.10 g/mol
Exact Mass365.94
IUPAC Name1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate
SMILESO=S(=O)(O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HF11O4S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20-21(17,18)19/h(H,17,18,19)
InChIKeyJSHYUYFUQIVENT-UHFFFAOYSA-N
XLogP2.87
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 52.87
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'}

Analyze 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate (CID 88532735) is 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate is O=S(=O)(O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate?
The InChIKey is JSHYUYFUQIVENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF11O4S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20-21(17,18)19/h(H,17,18,19).
What are the key properties of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate?
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate has a molecular weight of 366.10 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl hydrogen sulfate is sourced from PubChem (CID 88532735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).