1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one

C10H11FO3S — CID 62474533

IUPAC1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one
SMILESCS(=O)(=O)CC(=O)Cc1cccc(F)c1
InChIInChI=1S/C10H11FO3S/c1-15(13,14)7-10(12)6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3
InChIKeyDUHWZDVKJYKBKA-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.98
Rot. Bonds4

About 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one

1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one (PubChem CID 62474533) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one
PubChem CID62474533
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one
SMILESCS(=O)(=O)CC(=O)Cc1cccc(F)c1
InChIInChI=1S/C10H11FO3S/c1-15(13,14)7-10(12)6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3
InChIKeyDUHWZDVKJYKBKA-UHFFFAOYSA-N
XLogP0.98
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-2-oxopropane-1-sulfonic acid
CID 115038716
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
1-hydroxy-3-(3-propan-2-ylphenyl)propan-2-one;1-methylsulfonyl-3-(3-propan-2-ylphenyl)propan-2-one
CID 161427293
1-(4-tert-butylphenyl)-3-(3-fluorophenyl)propan-2-one
CID 63409516
1-(3-fluorophenyl)-4-methylhexan-2-one
CID 62622297
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692
1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 61219534
1-(3-fluorophenyl)-6,6-dimethylheptane-2,4-dione
CID 58474328
3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride
CID 115046737
[3-(3-fluorophenyl)-2-oxopropyl]carbamic acid
CID 69133239
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 62621730

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one?
The IUPAC name of 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one (CID 62474533) is 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one is CS(=O)(=O)CC(=O)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one?
The InChIKey is DUHWZDVKJYKBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c1-15(13,14)7-10(12)6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one?
1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one has a molecular weight of 230.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-methylsulfonylpropan-2-one is sourced from PubChem (CID 62474533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).