methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate

C11H13FO4S — CID 124640418

IUPACmethyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate
SMILESCOC(=O)[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C11H13FO4S/c1-7(11(13)16-2)8-4-5-10(9(12)6-8)17(3,14)15/h4-7H,1-3H3/t7-/m1/s1
InChIKeySVQWEFXHUWBRIO-SSDOTTSWSA-N
MW260.29 g/mol
LogP1.51
Rot. Bonds3

About methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate

methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate (PubChem CID 124640418) has the molecular formula C11H13FO4S and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate
PubChem CID124640418
Molecular FormulaC11H13FO4S
Molecular Weight260.29 g/mol
Exact Mass260.05
IUPAC Namemethyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate
SMILESCOC(=O)[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C11H13FO4S/c1-7(11(13)16-2)8-4-5-10(9(12)6-8)17(3,14)15/h4-7H,1-3H3/t7-/m1/s1
InChIKeySVQWEFXHUWBRIO-SSDOTTSWSA-N
XLogP1.51
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide
CID 119801243
methyl 2-[4-(dimethylsulfamoyloxy)-3-fluorophenyl]propanoate
CID 53375484
(2S)-2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylbutanamide
CID 119333678
(2S)-2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3,3-dimethylbutanamide
CID 119801231
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]butanamide;hydrochloride
CID 119801244
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide
CID 119951982
methyl 2-(6-fluoronaphthalen-2-yl)propanoate
CID 70591707
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119801225
3,3-diethoxy-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]propanamide
CID 102562820
1-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide
CID 119333676
2-(4-methoxy-3-methylsulfonylphenyl)propanoic acid
CID 117399322
1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea
CID 71990646

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate?
The IUPAC name of methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate (CID 124640418) is methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate?
The canonical SMILES for methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate is COC(=O)[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate?
The InChIKey is SVQWEFXHUWBRIO-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13FO4S/c1-7(11(13)16-2)8-4-5-10(9(12)6-8)17(3,14)15/h4-7H,1-3H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate?
methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate has a molecular weight of 260.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(3-fluoro-4-methylsulfonylphenyl)propanoate is sourced from PubChem (CID 124640418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).