1-(3-fluoro-5-methylsulfonylphenoxy)propan-2-one

C10H11FO4S — CID 70979744

IUPAC1-(3-fluoro-5-methylsulfonylphenoxy)propan-2-one
SMILESCC(=O)COc1cc(F)cc(S(C)(=O)=O)c1
InChIInChI=1S/C10H11FO4S/c1-7(12)6-15-9-3-8(11)4-10(5-9)16(2,13)14/h3-5H,6H2,1-2H3
InChIKeyOQFGYRWCNOIDPV-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.20
Rot. Bonds4

About 1-(3-fluoro-5-methylsulfonylphenoxy)propan-2-one

1-(3-fluoro-5-methylsulfonylphenoxy)propan-2-one (PubChem CID 70979744) has the molecular formula C10H11FO4S and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylsulfonylphenoxy)propan-2-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methylsulfonylphenoxy)propan-2-one
PubChem CID70979744
Molecular FormulaC10H11FO4S
Molecular Weight246.26 g/mol
Exact Mass246.04
IUPAC Name1-(3-fluoro-5-methylsulfonylphenoxy)propan-2-one
SMILESCC(=O)COc1cc(F)cc(S(C)(=O)=O)c1
InChIInChI=1S/C10H11FO4S/c1-7(12)6-15-9-3-8(11)4-10(5-9)16(2,13)14/h3-5H,6H2,1-2H3
InChIKeyOQFGYRWCNOIDPV-UHFFFAOYSA-N
XLogP1.20
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 57675723
CID 57675723
CID 23274137
CID 23274137
CID 258441
CID 258441
CID 259650
CID 259650
CID 213319
CID 213319
CID 179540
CID 179540
CID 23274944
CID 23274944
CID 162405292
CID 162405292
CID 176431551
CID 176431551
CID 18738819
CID 18738819
CID 122375144
CID 122375144
CID 43234950
CID 43234950

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylsulfonylphenoxy)propan-2-one?
The IUPAC name of 1-(3-fluoro-5-methylsulfonylphenoxy)propan-2-one (CID 70979744) is 1-(3-fluoro-5-methylsulfonylphenoxy)propan-2-one.
What is the SMILES notation for 1-(3-fluoro-5-methylsulfonylphenoxy)propan-2-one?
The canonical SMILES for 1-(3-fluoro-5-methylsulfonylphenoxy)propan-2-one is CC(=O)COc1cc(F)cc(S(C)(=O)=O)c1.
What is the InChIKey of 1-(3-fluoro-5-methylsulfonylphenoxy)propan-2-one?
The InChIKey is OQFGYRWCNOIDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4S/c1-7(12)6-15-9-3-8(11)4-10(5-9)16(2,13)14/h3-5H,6H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylsulfonylphenoxy)propan-2-one?
1-(3-fluoro-5-methylsulfonylphenoxy)propan-2-one has a molecular weight of 246.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylsulfonylphenoxy)propan-2-one is sourced from PubChem (CID 70979744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).