4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one

C14H19FO2S — CID 64638253

IUPAC4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one
SMILESCCC(C)S(=O)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FO2S/c1-3-11(2)18(17)10-4-5-14(16)12-6-8-13(15)9-7-12/h6-9,11H,3-5,10H2,1-2H3
InChIKeyLEIUOAXYNUIGJC-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.34
Rot. Bonds7

About 4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one

4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one (PubChem CID 64638253) has the molecular formula C14H19FO2S and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one
PubChem CID64638253
Molecular FormulaC14H19FO2S
Molecular Weight270.37 g/mol
Exact Mass270.11
IUPAC Name4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one
SMILESCCC(C)S(=O)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FO2S/c1-3-11(2)18(17)10-4-5-14(16)12-6-8-13(15)9-7-12/h6-9,11H,3-5,10H2,1-2H3
InChIKeyLEIUOAXYNUIGJC-UHFFFAOYSA-N
XLogP3.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one
CID 10376307
1-(4-fluorophenyl)-5-methoxyhexan-1-one
CID 145375839
4-ethylsulfanyl-1-(4-fluorophenyl)butan-1-one
CID 43793961
1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one
CID 43793381
1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one
CID 43792985
1-(4-fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
2-butan-2-ylsulfinyl-1-(4-chlorophenyl)ethanone
CID 64638854
2-butan-2-ylsulfinyl-1-phenylethanone
CID 64639265
2-butan-2-yloxy-1-(4-fluorophenyl)ethanone
CID 60902739
1-(4-fluorophenyl)-2-pentylsulfinylethanone
CID 107764510
4-[ethyl(propyl)amino]-1-(4-fluorophenyl)butan-1-one
CID 43792937

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one (CID 64638253) is 4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one is CCC(C)S(=O)CCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one?
The InChIKey is LEIUOAXYNUIGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2S/c1-3-11(2)18(17)10-4-5-14(16)12-6-8-13(15)9-7-12/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of 4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one?
4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one has a molecular weight of 270.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfinyl-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 64638253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).