1-methoxypropane-2-sulfonyl fluoride

C4H9FO3S — CID 122236075

IUPAC1-methoxypropane-2-sulfonyl fluoride
SMILESCOCC(C)S(=O)(=O)F
InChIInChI=1S/C4H9FO3S/c1-4(3-8-2)9(5,6)7/h4H,3H2,1-2H3
InChIKeyWPFDYTLZDBBVMJ-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.32
Rot. Bonds3

About 1-methoxypropane-2-sulfonyl fluoride

1-methoxypropane-2-sulfonyl fluoride (PubChem CID 122236075) has the molecular formula C4H9FO3S and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-methoxypropane-2-sulfonyl fluoride.

Molecular Properties

Compound Name1-methoxypropane-2-sulfonyl fluoride
PubChem CID122236075
Molecular FormulaC4H9FO3S
Molecular Weight156.18 g/mol
Exact Mass156.03
IUPAC Name1-methoxypropane-2-sulfonyl fluoride
SMILESCOCC(C)S(=O)(=O)F
InChIInChI=1S/C4H9FO3S/c1-4(3-8-2)9(5,6)7/h4H,3H2,1-2H3
InChIKeyWPFDYTLZDBBVMJ-UHFFFAOYSA-N
XLogP0.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl ethanesulfonate
CID 74704
1-Propanesulfonic acid, propyl ester
CID 152100
2-Ethoxyethane-1-sulfonyl fluoride
CID 18951512
2-Fluoroethyl ester ethanesulfonic acid
CID 329726
1-Propanesulfonic acid, ethyl ester
CID 150333
2-Fluoro-3-methoxy-2-methylpropane-1-sulfonyl chloride
CID 121552602
2-Methoxyethane-1-sulfonyl fluoride
CID 18951510
3-Methoxypropane-1-sulfonyl chloride
CID 20242868
1-Methoxypropane-2-sulfonyl chloride
CID 54593349
4-Methoxybutane-1-sulfonyl chloride
CID 57244474
4-Methoxybutane-2-sulfonyl chloride
CID 62084725
3-Ethoxypropane-1-sulfonyl chloride
CID 64147175

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropane-2-sulfonyl fluoride?
The IUPAC name of 1-methoxypropane-2-sulfonyl fluoride (CID 122236075) is 1-methoxypropane-2-sulfonyl fluoride.
What is the SMILES notation for 1-methoxypropane-2-sulfonyl fluoride?
The canonical SMILES for 1-methoxypropane-2-sulfonyl fluoride is COCC(C)S(=O)(=O)F.
What is the InChIKey of 1-methoxypropane-2-sulfonyl fluoride?
The InChIKey is WPFDYTLZDBBVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO3S/c1-4(3-8-2)9(5,6)7/h4H,3H2,1-2H3.
What are the key properties of 1-methoxypropane-2-sulfonyl fluoride?
1-methoxypropane-2-sulfonyl fluoride has a molecular weight of 156.18 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropane-2-sulfonyl fluoride is sourced from PubChem (CID 122236075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).