2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate

C7H3F13O4S — CID 101089827

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate
SMILESO=S(=O)(O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F13O4S/c8-2(9,1-24-25(21,22)23)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1H2,(H,21,22,23)
InChIKeyVTLOIUVDIPKOPG-UHFFFAOYSA-N
MW430.14 g/mol
LogP3.54
Rot. Bonds7

About 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate (PubChem CID 101089827) has the molecular formula C7H3F13O4S and a molecular weight of 430.14 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate
PubChem CID101089827
Molecular FormulaC7H3F13O4S
Molecular Weight430.14 g/mol
Exact Mass429.95
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate
SMILESO=S(=O)(O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F13O4S/c8-2(9,1-24-25(21,22)23)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1H2,(H,21,22,23)
InChIKeyVTLOIUVDIPKOPG-UHFFFAOYSA-N
XLogP3.54
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.14
LogP ≤ 53.54
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 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate with MolForge

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Related Compounds

8:2 FTOH-Sulfate
CID 15936172
mHPFSO4 n=3
CID 139594893
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl hydrogen sulfate
CID 91350838
4:2 Fluorotelomer alcohol sulfate
CID 162396679
Sodium 2,2,3,3,4,4,5,5,6,6,7,7adodecafluoroheptyl sulfate
CID 101089828
10:2 Fluorotelomer sulfate
CID 22639323
12:2 Fluorotelomer sulfate
CID 138395092
1-Heptanol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-, 1-(hydrogen sulfate)
CID 12650403
C10H12O4SF10
CID 163324516
C8H10O4SF8
CID 163324520
1,2,2,3,3,4,5,6,6-Nonafluorohexyl hydrogen sulfate
CID 87764836
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl hydrogen sulfate
CID 87841913

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate (CID 101089827) is 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate is O=S(=O)(O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate?
The InChIKey is VTLOIUVDIPKOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F13O4S/c8-2(9,1-24-25(21,22)23)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1H2,(H,21,22,23).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate?
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate has a molecular weight of 430.14 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl hydrogen sulfate is sourced from PubChem (CID 101089827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).