3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine

C12H16FNO3S — CID 117435702

IUPAC3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine
SMILESCOc1ccc(C2CCNC2)c(F)c1S(C)(=O)=O
InChIInChI=1S/C12H16FNO3S/c1-17-10-4-3-9(8-5-6-14-7-8)11(13)12(10)18(2,15)16/h3-4,8,14H,5-7H2,1-2H3
InChIKeyQOZYOXBGVLODLX-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.31
Rot. Bonds3

About 3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine

3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine (PubChem CID 117435702) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine
PubChem CID117435702
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine
SMILESCOc1ccc(C2CCNC2)c(F)c1S(C)(=O)=O
InChIInChI=1S/C12H16FNO3S/c1-17-10-4-3-9(8-5-6-14-7-8)11(13)12(10)18(2,15)16/h3-4,8,14H,5-7H2,1-2H3
InChIKeyQOZYOXBGVLODLX-UHFFFAOYSA-N
XLogP1.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine
CID 117407174
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
4-[(2-fluoro-4-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117485597
3-(2,4-dimethoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117386712
3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine
CID 117391565
3-(2-methoxy-4-methylsulfonylphenyl)piperidine
CID 117426853
3-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)piperidine
CID 117463652
3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine
CID 117377277
3-(2-methoxy-4-methylsulfanylphenyl)pyrrolidine
CID 117320772
3-(2-bromo-3-methoxyphenyl)pyrrolidine
CID 83730898
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine?
The IUPAC name of 3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine (CID 117435702) is 3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine.
What is the SMILES notation for 3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine?
The canonical SMILES for 3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine is COc1ccc(C2CCNC2)c(F)c1S(C)(=O)=O.
What is the InChIKey of 3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine?
The InChIKey is QOZYOXBGVLODLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-17-10-4-3-9(8-5-6-14-7-8)11(13)12(10)18(2,15)16/h3-4,8,14H,5-7H2,1-2H3.
What are the key properties of 3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine?
3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine has a molecular weight of 273.33 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)pyrrolidine is sourced from PubChem (CID 117435702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).