1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid;hydrochloride

C3H2ClF7O3S — CID 129017419

IUPAC1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF7O3S.ClH/c4-1(5,2(6,7)8)3(9,10)14(11,12)13;/h(H,11,12,13);1H
InChIKeyBIDAMTNTEDFBBE-UHFFFAOYSA-N
MW286.55 g/mol
LogP2.09
Rot. Bonds2

About 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid;hydrochloride

1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid;hydrochloride (PubChem CID 129017419) has the molecular formula C3H2ClF7O3S and a molecular weight of 286.55 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid;hydrochloride.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid;hydrochloride
PubChem CID129017419
Molecular FormulaC3H2ClF7O3S
Molecular Weight286.55 g/mol
Exact Mass285.93
IUPAC Name1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF7O3S.ClH/c4-1(5,2(6,7)8)3(9,10)14(11,12)13;/h(H,11,12,13);1H
InChIKeyBIDAMTNTEDFBBE-UHFFFAOYSA-N
XLogP2.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.55
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid;hydrochloride?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid;hydrochloride (CID 129017419) is 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid;hydrochloride.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid;hydrochloride?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid;hydrochloride is Cl.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid;hydrochloride?
The InChIKey is BIDAMTNTEDFBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7O3S.ClH/c4-1(5,2(6,7)8)3(9,10)14(11,12)13;/h(H,11,12,13);1H.
What are the key properties of 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid;hydrochloride?
1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid;hydrochloride has a molecular weight of 286.55 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonic acid;hydrochloride is sourced from PubChem (CID 129017419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).