(1-fluoro-2-methylpropan-2-yl)-oxosulfanium

C4H8FOS+ — CID 174536819

IUPAC(1-fluoro-2-methylpropan-2-yl)-oxosulfanium
SMILESCC(C)(CF)[S+]=O
InChIInChI=1S/C4H8FOS/c1-4(2,3-5)7-6/h3H2,1-2H3/q+1
InChIKeyJWJIOTHBDLMSQD-UHFFFAOYSA-N
MW123.17 g/mol
LogP1.16
Rot. Bonds2

About (1-fluoro-2-methylpropan-2-yl)-oxosulfanium

(1-fluoro-2-methylpropan-2-yl)-oxosulfanium (PubChem CID 174536819) has the molecular formula C4H8FOS+ and a molecular weight of 123.17 g/mol. Its IUPAC name is (1-fluoro-2-methylpropan-2-yl)-oxosulfanium.

Molecular Properties

Compound Name(1-fluoro-2-methylpropan-2-yl)-oxosulfanium
PubChem CID174536819
Molecular FormulaC4H8FOS+
Molecular Weight123.17 g/mol
Exact Mass123.03
IUPAC Name(1-fluoro-2-methylpropan-2-yl)-oxosulfanium
SMILESCC(C)(CF)[S+]=O
InChIInChI=1S/C4H8FOS/c1-4(2,3-5)7-6/h3H2,1-2H3/q+1
InChIKeyJWJIOTHBDLMSQD-UHFFFAOYSA-N
XLogP1.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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'}

Analyze (1-fluoro-2-methylpropan-2-yl)-oxosulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methylpropane-2-sulfinyl chloride
CID 4686861
2-Methylpropane-2-sulfinyl bromide
CID 134928143
1-Fluoro-2-methyl-2-methylsulfinylpropane
CID 87154773
1-Fluoro-2-methylpropane-2-sulfinate
CID 89437333
2-(Fluoromethylsulfinyl)-2-methylpropane
CID 162360382
4-Fluorobutan-2-yl(oxo)sulfanium
CID 174740408
Tert-butyl-fluoro-oxidosulfanium
CID 175295221
Tert-butylsulfinylchloranium
CID 162412882
2-Methylpropane-2-sulfinyl iodide
CID 88274098
Tert-butyl(oxo)sulfanium
CID 163505537
2-Methylbutan-2-yl(oxo)sulfanium
CID 173765321
(S)-2-methylpropane-2-sulfinyl chloride
CID 98043154

Frequently Asked Questions

What is the IUPAC name of (1-fluoro-2-methylpropan-2-yl)-oxosulfanium?
The IUPAC name of (1-fluoro-2-methylpropan-2-yl)-oxosulfanium (CID 174536819) is (1-fluoro-2-methylpropan-2-yl)-oxosulfanium.
What is the SMILES notation for (1-fluoro-2-methylpropan-2-yl)-oxosulfanium?
The canonical SMILES for (1-fluoro-2-methylpropan-2-yl)-oxosulfanium is CC(C)(CF)[S+]=O.
What is the InChIKey of (1-fluoro-2-methylpropan-2-yl)-oxosulfanium?
The InChIKey is JWJIOTHBDLMSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FOS/c1-4(2,3-5)7-6/h3H2,1-2H3/q+1.
What are the key properties of (1-fluoro-2-methylpropan-2-yl)-oxosulfanium?
(1-fluoro-2-methylpropan-2-yl)-oxosulfanium has a molecular weight of 123.17 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-2-methylpropan-2-yl)-oxosulfanium is sourced from PubChem (CID 174536819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).