1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid

C5H5F7O3S — CID 122480790

IUPAC1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid
SMILESCC(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C5H5F7O3S/c1-2(6)3(7,8)4(9,10)5(11,12)16(13,14)15/h2H,1H3,(H,13,14,15)
InChIKeyCNORGGZAPYDQAM-UHFFFAOYSA-N
MW278.14 g/mol
LogP2.10
Rot. Bonds4

About 1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid

1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid (PubChem CID 122480790) has the molecular formula C5H5F7O3S and a molecular weight of 278.14 g/mol. Its IUPAC name is 1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid.

Molecular Properties

Compound Name1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid
PubChem CID122480790
Molecular FormulaC5H5F7O3S
Molecular Weight278.14 g/mol
Exact Mass277.98
IUPAC Name1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid
SMILESCC(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C5H5F7O3S/c1-2(6)3(7,8)4(9,10)5(11,12)16(13,14)15/h2H,1H3,(H,13,14,15)
InChIKeyCNORGGZAPYDQAM-UHFFFAOYSA-N
XLogP2.10
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid
CID 173464040
sodium 1,1,2,2,3,3,4-heptafluoropentane-1-sulfonate
CID 122480955
ethane-1,1-diol;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid)
CID 87127947
1,1,2,2-tetrafluoro-3-hydroxybutane-1-sulfonic acid
CID 151990025
lithium 1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonate
CID 122481409
1,1,2,2,3,3,4-heptafluorononane-1-sulfonic acid
CID 122480823
1,1,2,2,3,3,4,4,5,5,6-undecafluorooctane-1-sulfonic acid
CID 122480896
1,1,2,2,3,3,4,5,6,7,7,7-dodecafluorohept-5-ene-1-sulfonic acid
CID 165362882
potassium 1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonate
CID 122481270
potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride
CID 173109555
1,1,2,2,3,3,4-heptafluorododecane-1-sulfonic acid
CID 122480783
methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 144756171

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid?
The IUPAC name of 1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid (CID 122480790) is 1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid.
What is the SMILES notation for 1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid?
The canonical SMILES for 1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid is CC(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O.
What is the InChIKey of 1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid?
The InChIKey is CNORGGZAPYDQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F7O3S/c1-2(6)3(7,8)4(9,10)5(11,12)16(13,14)15/h2H,1H3,(H,13,14,15).
What are the key properties of 1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid?
1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid has a molecular weight of 278.14 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid is sourced from PubChem (CID 122480790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).