4-fluorobutan-2-yl(oxo)sulfanium

C4H8FOS+ — CID 174740408

IUPAC4-fluorobutan-2-yl(oxo)sulfanium
SMILESCC(CCF)[S+]=O
InChIInChI=1S/C4H8FOS/c1-4(7-6)2-3-5/h4H,2-3H2,1H3/q+1
InChIKeyDSCNWWSPWYQTNF-UHFFFAOYSA-N
MW123.17 g/mol
LogP1.16
Rot. Bonds3

About 4-fluorobutan-2-yl(oxo)sulfanium

4-fluorobutan-2-yl(oxo)sulfanium (PubChem CID 174740408) has the molecular formula C4H8FOS+ and a molecular weight of 123.17 g/mol. Its IUPAC name is 4-fluorobutan-2-yl(oxo)sulfanium.

Molecular Properties

Compound Name4-fluorobutan-2-yl(oxo)sulfanium
PubChem CID174740408
Molecular FormulaC4H8FOS+
Molecular Weight123.17 g/mol
Exact Mass123.03
IUPAC Name4-fluorobutan-2-yl(oxo)sulfanium
SMILESCC(CCF)[S+]=O
InChIInChI=1S/C4H8FOS/c1-4(7-6)2-3-5/h4H,2-3H2,1H3/q+1
InChIKeyDSCNWWSPWYQTNF-UHFFFAOYSA-N
XLogP1.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.17
LogP ≤ 51.16
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 4-fluorobutan-2-yl(oxo)sulfanium?
The IUPAC name of 4-fluorobutan-2-yl(oxo)sulfanium (CID 174740408) is 4-fluorobutan-2-yl(oxo)sulfanium.
What is the SMILES notation for 4-fluorobutan-2-yl(oxo)sulfanium?
The canonical SMILES for 4-fluorobutan-2-yl(oxo)sulfanium is CC(CCF)[S+]=O.
What is the InChIKey of 4-fluorobutan-2-yl(oxo)sulfanium?
The InChIKey is DSCNWWSPWYQTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FOS/c1-4(7-6)2-3-5/h4H,2-3H2,1H3/q+1.
What are the key properties of 4-fluorobutan-2-yl(oxo)sulfanium?
4-fluorobutan-2-yl(oxo)sulfanium has a molecular weight of 123.17 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobutan-2-yl(oxo)sulfanium is sourced from PubChem (CID 174740408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).