6-(2-fluorophenyl)sulfonylhexan-3-one

C12H15FO3S — CID 106807678

IUPAC6-(2-fluorophenyl)sulfonylhexan-3-one
SMILESCCC(=O)CCCS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H15FO3S/c1-2-10(14)6-5-9-17(15,16)12-8-4-3-7-11(12)13/h3-4,7-8H,2,5-6,9H2,1H3
InChIKeyHRZDVMVDVISBHL-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.36
Rot. Bonds6

About 6-(2-fluorophenyl)sulfonylhexan-3-one

6-(2-fluorophenyl)sulfonylhexan-3-one (PubChem CID 106807678) has the molecular formula C12H15FO3S and a molecular weight of 258.31 g/mol. Its IUPAC name is 6-(2-fluorophenyl)sulfonylhexan-3-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)sulfonylhexan-3-one
PubChem CID106807678
Molecular FormulaC12H15FO3S
Molecular Weight258.31 g/mol
Exact Mass258.07
IUPAC Name6-(2-fluorophenyl)sulfonylhexan-3-one
SMILESCCC(=O)CCCS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H15FO3S/c1-2-10(14)6-5-9-17(15,16)12-8-4-3-7-11(12)13/h3-4,7-8H,2,5-6,9H2,1H3
InChIKeyHRZDVMVDVISBHL-UHFFFAOYSA-N
XLogP2.36
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)sulfonylhexan-3-one?
The IUPAC name of 6-(2-fluorophenyl)sulfonylhexan-3-one (CID 106807678) is 6-(2-fluorophenyl)sulfonylhexan-3-one.
What is the SMILES notation for 6-(2-fluorophenyl)sulfonylhexan-3-one?
The canonical SMILES for 6-(2-fluorophenyl)sulfonylhexan-3-one is CCC(=O)CCCS(=O)(=O)c1ccccc1F.
What is the InChIKey of 6-(2-fluorophenyl)sulfonylhexan-3-one?
The InChIKey is HRZDVMVDVISBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3S/c1-2-10(14)6-5-9-17(15,16)12-8-4-3-7-11(12)13/h3-4,7-8H,2,5-6,9H2,1H3.
What are the key properties of 6-(2-fluorophenyl)sulfonylhexan-3-one?
6-(2-fluorophenyl)sulfonylhexan-3-one has a molecular weight of 258.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)sulfonylhexan-3-one is sourced from PubChem (CID 106807678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).