4-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-one

C16H15FOS — CID 102101416

IUPAC4-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-one
SMILESCC(=O)CC(Sc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H15FOS/c1-12(18)11-16(13-5-3-2-4-6-13)19-15-9-7-14(17)8-10-15/h2-10,16H,11H2,1H3
InChIKeyBBKKTWOUYATDBM-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.64
Rot. Bonds5

About 4-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-one

4-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-one (PubChem CID 102101416) has the molecular formula C16H15FOS and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-one
PubChem CID102101416
Molecular FormulaC16H15FOS
Molecular Weight274.36 g/mol
Exact Mass274.08
IUPAC Name4-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-one
SMILESCC(=O)CC(Sc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H15FOS/c1-12(18)11-16(13-5-3-2-4-6-13)19-15-9-7-14(17)8-10-15/h2-10,16H,11H2,1H3
InChIKeyBBKKTWOUYATDBM-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-(Phenylthio)phenyl)ethan-1-one
CID 66287
4-((4-Methylphenyl)sulfonyl)-4-phenyl-2-butanone
CID 3127843
1-(4-Fluorophenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
CID 5225625
1-(4-Fluorophenyl)-2-(phenylsulfonyl)ethanone
CID 1483401
(E)-3-(4-methylsulfanylphenyl)-1-phenylprop-2-en-1-one
CID 5377374
3-((4-Fluorophenyl)sulfonyl)-1-(4-methylphenyl)-1-propanone
CID 4626060
1-Phenyl-3-(phenylthio)-2-propen-1-one
CID 870755
Phenacyl phenyl sulfide
CID 85338
Bis(4-acetylphenyl)sulfide
CID 520243
2,6-Diphenyltetrahydro-4H-thiopyran-4-one
CID 142121
1-(4-Fluorophenyl)-3-(phenylsulfonyl)propan-1-one
CID 44437632
3-[(4-Methylphenyl)thio]-1-phenyl-2-propen-1-one
CID 2245367

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-one?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-one (CID 102101416) is 4-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-one?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-one is CC(=O)CC(Sc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-one?
The InChIKey is BBKKTWOUYATDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FOS/c1-12(18)11-16(13-5-3-2-4-6-13)19-15-9-7-14(17)8-10-15/h2-10,16H,11H2,1H3.
What are the key properties of 4-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-one?
4-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-one has a molecular weight of 274.36 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-one is sourced from PubChem (CID 102101416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).