1-fluoro-3-methylsulfinylpropane

C4H9FOS — CID 89224816

IUPAC1-fluoro-3-methylsulfinylpropane
SMILESCS(=O)CCCF
InChIInChI=1S/C4H9FOS/c1-7(6)4-2-3-5/h2-4H2,1H3
InChIKeyAGETUSPZFFZFGC-UHFFFAOYSA-N
MW124.18 g/mol
LogP0.72
Rot. Bonds3

About 1-fluoro-3-methylsulfinylpropane

1-fluoro-3-methylsulfinylpropane (PubChem CID 89224816) has the molecular formula C4H9FOS and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-fluoro-3-methylsulfinylpropane.

Molecular Properties

Compound Name1-fluoro-3-methylsulfinylpropane
PubChem CID89224816
Molecular FormulaC4H9FOS
Molecular Weight124.18 g/mol
Exact Mass124.04
IUPAC Name1-fluoro-3-methylsulfinylpropane
SMILESCS(=O)CCCF
InChIInChI=1S/C4H9FOS/c1-7(6)4-2-3-5/h2-4H2,1H3
InChIKeyAGETUSPZFFZFGC-UHFFFAOYSA-N
XLogP0.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methylsulfinylpropane?
The IUPAC name of 1-fluoro-3-methylsulfinylpropane (CID 89224816) is 1-fluoro-3-methylsulfinylpropane.
What is the SMILES notation for 1-fluoro-3-methylsulfinylpropane?
The canonical SMILES for 1-fluoro-3-methylsulfinylpropane is CS(=O)CCCF.
What is the InChIKey of 1-fluoro-3-methylsulfinylpropane?
The InChIKey is AGETUSPZFFZFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FOS/c1-7(6)4-2-3-5/h2-4H2,1H3.
What are the key properties of 1-fluoro-3-methylsulfinylpropane?
1-fluoro-3-methylsulfinylpropane has a molecular weight of 124.18 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylsulfinylpropane is sourced from PubChem (CID 89224816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).