6-(4-fluorophenyl)sulfinylhexan-2-one

C12H15FO2S — CID 64635188

IUPAC6-(4-fluorophenyl)sulfinylhexan-2-one
SMILESCC(=O)CCCCS(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FO2S/c1-10(14)4-2-3-9-16(15)12-7-5-11(13)6-8-12/h5-8H,2-4,9H2,1H3
InChIKeyOYBMOUHYIQZNAL-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.69
Rot. Bonds6

About 6-(4-fluorophenyl)sulfinylhexan-2-one

6-(4-fluorophenyl)sulfinylhexan-2-one (PubChem CID 64635188) has the molecular formula C12H15FO2S and a molecular weight of 242.31 g/mol. Its IUPAC name is 6-(4-fluorophenyl)sulfinylhexan-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)sulfinylhexan-2-one
PubChem CID64635188
Molecular FormulaC12H15FO2S
Molecular Weight242.31 g/mol
Exact Mass242.08
IUPAC Name6-(4-fluorophenyl)sulfinylhexan-2-one
SMILESCC(=O)CCCCS(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FO2S/c1-10(14)4-2-3-9-16(15)12-7-5-11(13)6-8-12/h5-8H,2-4,9H2,1H3
InChIKeyOYBMOUHYIQZNAL-UHFFFAOYSA-N
XLogP2.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)sulfinylhexan-2-one?
The IUPAC name of 6-(4-fluorophenyl)sulfinylhexan-2-one (CID 64635188) is 6-(4-fluorophenyl)sulfinylhexan-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)sulfinylhexan-2-one?
The canonical SMILES for 6-(4-fluorophenyl)sulfinylhexan-2-one is CC(=O)CCCCS(=O)c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)sulfinylhexan-2-one?
The InChIKey is OYBMOUHYIQZNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2S/c1-10(14)4-2-3-9-16(15)12-7-5-11(13)6-8-12/h5-8H,2-4,9H2,1H3.
What are the key properties of 6-(4-fluorophenyl)sulfinylhexan-2-one?
6-(4-fluorophenyl)sulfinylhexan-2-one has a molecular weight of 242.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)sulfinylhexan-2-one is sourced from PubChem (CID 64635188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).