tert-butyl-fluoro-oxidosulfanium

C4H9FOS — CID 175295221

IUPACtert-butyl-fluoro-oxidosulfanium
SMILESCC(C)(C)[S+]([O-])F
InChIInChI=1S/C4H9FOS/c1-4(2,3)7(5)6/h1-3H3
InChIKeyXUKNBKQFZHLREU-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.42
Rot. Bonds

About tert-butyl-fluoro-oxidosulfanium

tert-butyl-fluoro-oxidosulfanium (PubChem CID 175295221) has the molecular formula C4H9FOS and a molecular weight of 124.18 g/mol. Its IUPAC name is tert-butyl-fluoro-oxidosulfanium.

Molecular Properties

Compound Nametert-butyl-fluoro-oxidosulfanium
PubChem CID175295221
Molecular FormulaC4H9FOS
Molecular Weight124.18 g/mol
Exact Mass124.04
IUPAC Nametert-butyl-fluoro-oxidosulfanium
SMILESCC(C)(C)[S+]([O-])F
InChIInChI=1S/C4H9FOS/c1-4(2,3)7(5)6/h1-3H3
InChIKeyXUKNBKQFZHLREU-UHFFFAOYSA-N
XLogP1.42
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-fluoro-oxidosulfanium?
The IUPAC name of tert-butyl-fluoro-oxidosulfanium (CID 175295221) is tert-butyl-fluoro-oxidosulfanium.
What is the SMILES notation for tert-butyl-fluoro-oxidosulfanium?
The canonical SMILES for tert-butyl-fluoro-oxidosulfanium is CC(C)(C)[S+]([O-])F.
What is the InChIKey of tert-butyl-fluoro-oxidosulfanium?
The InChIKey is XUKNBKQFZHLREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FOS/c1-4(2,3)7(5)6/h1-3H3.
What are the key properties of tert-butyl-fluoro-oxidosulfanium?
tert-butyl-fluoro-oxidosulfanium has a molecular weight of 124.18 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-fluoro-oxidosulfanium is sourced from PubChem (CID 175295221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).