1-(1,1,2,2,3,3,3-heptafluoropropyl)thiolan-1-ium

C7H8F7S+ — CID 20802168

IUPAC1-(1,1,2,2,3,3,3-heptafluoropropyl)thiolan-1-ium
SMILESFC(F)(F)C(F)(F)C(F)(F)[S+]1CCCC1
InChIInChI=1S/C7H8F7S/c8-5(9,6(10,11)12)7(13,14)15-3-1-2-4-15/h1-4H2/q+1
InChIKeyONZKOYXCGGLTPY-UHFFFAOYSA-N
MW257.19 g/mol
LogP3.19
Rot. Bonds2

About 1-(1,1,2,2,3,3,3-heptafluoropropyl)thiolan-1-ium

1-(1,1,2,2,3,3,3-heptafluoropropyl)thiolan-1-ium (PubChem CID 20802168) has the molecular formula C7H8F7S+ and a molecular weight of 257.19 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,3-heptafluoropropyl)thiolan-1-ium.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,3-heptafluoropropyl)thiolan-1-ium
PubChem CID20802168
Molecular FormulaC7H8F7S+
Molecular Weight257.19 g/mol
Exact Mass257.02
IUPAC Name1-(1,1,2,2,3,3,3-heptafluoropropyl)thiolan-1-ium
SMILESFC(F)(F)C(F)(F)C(F)(F)[S+]1CCCC1
InChIInChI=1S/C7H8F7S/c8-5(9,6(10,11)12)7(13,14)15-3-1-2-4-15/h1-4H2/q+1
InChIKeyONZKOYXCGGLTPY-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropyl)thiolan-1-ium?
The IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropyl)thiolan-1-ium (CID 20802168) is 1-(1,1,2,2,3,3,3-heptafluoropropyl)thiolan-1-ium.
What is the SMILES notation for 1-(1,1,2,2,3,3,3-heptafluoropropyl)thiolan-1-ium?
The canonical SMILES for 1-(1,1,2,2,3,3,3-heptafluoropropyl)thiolan-1-ium is FC(F)(F)C(F)(F)C(F)(F)[S+]1CCCC1.
What is the InChIKey of 1-(1,1,2,2,3,3,3-heptafluoropropyl)thiolan-1-ium?
The InChIKey is ONZKOYXCGGLTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F7S/c8-5(9,6(10,11)12)7(13,14)15-3-1-2-4-15/h1-4H2/q+1.
What are the key properties of 1-(1,1,2,2,3,3,3-heptafluoropropyl)thiolan-1-ium?
1-(1,1,2,2,3,3,3-heptafluoropropyl)thiolan-1-ium has a molecular weight of 257.19 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,3-heptafluoropropyl)thiolan-1-ium is sourced from PubChem (CID 20802168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).