5-(3-fluorophenyl)-1-phenylsulfanylpentan-2-one

C17H17FOS — CID 58107870

IUPAC5-(3-fluorophenyl)-1-phenylsulfanylpentan-2-one
SMILESO=C(CCCc1cccc(F)c1)CSc1ccccc1
InChIInChI=1S/C17H17FOS/c18-15-8-4-6-14(12-15)7-5-9-16(19)13-20-17-10-2-1-3-11-17/h1-4,6,8,10-12H,5,7,9,13H2
InChIKeyJLYGQOKMHHASKW-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.51
Rot. Bonds7

About 5-(3-fluorophenyl)-1-phenylsulfanylpentan-2-one

5-(3-fluorophenyl)-1-phenylsulfanylpentan-2-one (PubChem CID 58107870) has the molecular formula C17H17FOS and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1-phenylsulfanylpentan-2-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1-phenylsulfanylpentan-2-one
PubChem CID58107870
Molecular FormulaC17H17FOS
Molecular Weight288.39 g/mol
Exact Mass288.10
IUPAC Name5-(3-fluorophenyl)-1-phenylsulfanylpentan-2-one
SMILESO=C(CCCc1cccc(F)c1)CSc1ccccc1
InChIInChI=1S/C17H17FOS/c18-15-8-4-6-14(12-15)7-5-9-16(19)13-20-17-10-2-1-3-11-17/h1-4,6,8,10-12H,5,7,9,13H2
InChIKeyJLYGQOKMHHASKW-UHFFFAOYSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-((4-Methylphenyl)sulfonyl)-4-phenyl-2-butanone
CID 3127843
1-Phenyl-3-(phenylthio)-2-propen-1-one
CID 870755
Phenacyl phenyl sulfide
CID 85338
2,6-Diphenyltetrahydro-4H-thiopyran-4-one
CID 142121
2-[(E)-2-(4-Fluoro-phenyl)-vinyl]-3-(4-methanesulfonyl-phenyl)-cyclopent-2-enone
CID 10832104
1-Propanone, 1,3-diphenyl-3-(phenylthio)-
CID 3753151
cis-2,6-Diphenyl-4-tetrahydrothiopyranone
CID 763695
1-Phenyl-2-phenylsulfanylpropan-1-one
CID 3405182
trans-4-Fluoro-4'-(methylthio)chalcone
CID 5377906
(5R)-5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)cyclohex-2-en-1-one
CID 44144019
2-(Phenylthio)cyclododecanone
CID 317517
Ethanone, 1,2-diphenyl-2-(phenylthio)-
CID 292261

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1-phenylsulfanylpentan-2-one?
The IUPAC name of 5-(3-fluorophenyl)-1-phenylsulfanylpentan-2-one (CID 58107870) is 5-(3-fluorophenyl)-1-phenylsulfanylpentan-2-one.
What is the SMILES notation for 5-(3-fluorophenyl)-1-phenylsulfanylpentan-2-one?
The canonical SMILES for 5-(3-fluorophenyl)-1-phenylsulfanylpentan-2-one is O=C(CCCc1cccc(F)c1)CSc1ccccc1.
What is the InChIKey of 5-(3-fluorophenyl)-1-phenylsulfanylpentan-2-one?
The InChIKey is JLYGQOKMHHASKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FOS/c18-15-8-4-6-14(12-15)7-5-9-16(19)13-20-17-10-2-1-3-11-17/h1-4,6,8,10-12H,5,7,9,13H2.
What are the key properties of 5-(3-fluorophenyl)-1-phenylsulfanylpentan-2-one?
5-(3-fluorophenyl)-1-phenylsulfanylpentan-2-one has a molecular weight of 288.39 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1-phenylsulfanylpentan-2-one is sourced from PubChem (CID 58107870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).