1-(2,2,3,3,4,4,4-heptafluorobutyl)thiolan-1-ium

C8H10F7S+ — CID 20802214

IUPAC1-(2,2,3,3,4,4,4-heptafluorobutyl)thiolan-1-ium
SMILESFC(F)(F)C(F)(F)C(F)(F)C[S+]1CCCC1
InChIInChI=1S/C8H10F7S/c9-6(10,5-16-3-1-2-4-16)7(11,12)8(13,14)15/h1-5H2/q+1
InChIKeyHWTSVZAMZGVKLF-UHFFFAOYSA-N
MW271.22 g/mol
LogP3.23
Rot. Bonds3

About 1-(2,2,3,3,4,4,4-heptafluorobutyl)thiolan-1-ium

1-(2,2,3,3,4,4,4-heptafluorobutyl)thiolan-1-ium (PubChem CID 20802214) has the molecular formula C8H10F7S+ and a molecular weight of 271.22 g/mol. Its IUPAC name is 1-(2,2,3,3,4,4,4-heptafluorobutyl)thiolan-1-ium.

Molecular Properties

Compound Name1-(2,2,3,3,4,4,4-heptafluorobutyl)thiolan-1-ium
PubChem CID20802214
Molecular FormulaC8H10F7S+
Molecular Weight271.22 g/mol
Exact Mass271.04
IUPAC Name1-(2,2,3,3,4,4,4-heptafluorobutyl)thiolan-1-ium
SMILESFC(F)(F)C(F)(F)C(F)(F)C[S+]1CCCC1
InChIInChI=1S/C8H10F7S/c9-6(10,5-16-3-1-2-4-16)7(11,12)8(13,14)15/h1-5H2/q+1
InChIKeyHWTSVZAMZGVKLF-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 53.23
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-(2,2,3,3,4,4,4-heptafluorobutyl)thiolan-1-ium?
The IUPAC name of 1-(2,2,3,3,4,4,4-heptafluorobutyl)thiolan-1-ium (CID 20802214) is 1-(2,2,3,3,4,4,4-heptafluorobutyl)thiolan-1-ium.
What is the SMILES notation for 1-(2,2,3,3,4,4,4-heptafluorobutyl)thiolan-1-ium?
The canonical SMILES for 1-(2,2,3,3,4,4,4-heptafluorobutyl)thiolan-1-ium is FC(F)(F)C(F)(F)C(F)(F)C[S+]1CCCC1.
What is the InChIKey of 1-(2,2,3,3,4,4,4-heptafluorobutyl)thiolan-1-ium?
The InChIKey is HWTSVZAMZGVKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F7S/c9-6(10,5-16-3-1-2-4-16)7(11,12)8(13,14)15/h1-5H2/q+1.
What are the key properties of 1-(2,2,3,3,4,4,4-heptafluorobutyl)thiolan-1-ium?
1-(2,2,3,3,4,4,4-heptafluorobutyl)thiolan-1-ium has a molecular weight of 271.22 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3,4,4,4-heptafluorobutyl)thiolan-1-ium is sourced from PubChem (CID 20802214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).