1-fluoro-3-methylsulfonylpropane

C4H9FO2S — CID 73059858

IUPAC1-fluoro-3-methylsulfonylpropane
SMILESCS(=O)(=O)CCCF
InChIInChI=1S/C4H9FO2S/c1-8(6,7)4-2-3-5/h2-4H2,1H3
InChIKeyFAPWHBUWZILKME-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.39
Rot. Bonds3

About 1-fluoro-3-methylsulfonylpropane

1-fluoro-3-methylsulfonylpropane (PubChem CID 73059858) has the molecular formula C4H9FO2S and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-fluoro-3-methylsulfonylpropane.

Molecular Properties

Compound Name1-fluoro-3-methylsulfonylpropane
PubChem CID73059858
Molecular FormulaC4H9FO2S
Molecular Weight140.18 g/mol
Exact Mass140.03
IUPAC Name1-fluoro-3-methylsulfonylpropane
SMILESCS(=O)(=O)CCCF
InChIInChI=1S/C4H9FO2S/c1-8(6,7)4-2-3-5/h2-4H2,1H3
InChIKeyFAPWHBUWZILKME-UHFFFAOYSA-N
XLogP0.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methylsulfonylpropane?
The IUPAC name of 1-fluoro-3-methylsulfonylpropane (CID 73059858) is 1-fluoro-3-methylsulfonylpropane.
What is the SMILES notation for 1-fluoro-3-methylsulfonylpropane?
The canonical SMILES for 1-fluoro-3-methylsulfonylpropane is CS(=O)(=O)CCCF.
What is the InChIKey of 1-fluoro-3-methylsulfonylpropane?
The InChIKey is FAPWHBUWZILKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO2S/c1-8(6,7)4-2-3-5/h2-4H2,1H3.
What are the key properties of 1-fluoro-3-methylsulfonylpropane?
1-fluoro-3-methylsulfonylpropane has a molecular weight of 140.18 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylsulfonylpropane is sourced from PubChem (CID 73059858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).