pentane-3-sulfonyl fluoride

C5H11FO2S — CID 122236127

IUPACpentane-3-sulfonyl fluoride
SMILESCCC(CC)S(=O)(=O)F
InChIInChI=1S/C5H11FO2S/c1-3-5(4-2)9(6,7)8/h5H,3-4H2,1-2H3
InChIKeyFDBQLUHHBTZACI-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.47
Rot. Bonds3

About pentane-3-sulfonyl fluoride

pentane-3-sulfonyl fluoride (PubChem CID 122236127) has the molecular formula C5H11FO2S and a molecular weight of 154.21 g/mol. Its IUPAC name is pentane-3-sulfonyl fluoride.

Molecular Properties

Compound Namepentane-3-sulfonyl fluoride
PubChem CID122236127
Molecular FormulaC5H11FO2S
Molecular Weight154.21 g/mol
Exact Mass154.05
IUPAC Namepentane-3-sulfonyl fluoride
SMILESCCC(CC)S(=O)(=O)F
InChIInChI=1S/C5H11FO2S/c1-3-5(4-2)9(6,7)8/h5H,3-4H2,1-2H3
InChIKeyFDBQLUHHBTZACI-UHFFFAOYSA-N
XLogP1.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pentane-3-sulfonyl fluoride?
The IUPAC name of pentane-3-sulfonyl fluoride (CID 122236127) is pentane-3-sulfonyl fluoride.
What is the SMILES notation for pentane-3-sulfonyl fluoride?
The canonical SMILES for pentane-3-sulfonyl fluoride is CCC(CC)S(=O)(=O)F.
What is the InChIKey of pentane-3-sulfonyl fluoride?
The InChIKey is FDBQLUHHBTZACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2S/c1-3-5(4-2)9(6,7)8/h5H,3-4H2,1-2H3.
What are the key properties of pentane-3-sulfonyl fluoride?
pentane-3-sulfonyl fluoride has a molecular weight of 154.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-3-sulfonyl fluoride is sourced from PubChem (CID 122236127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).