3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine

C11H13F2NO2S — CID 117407174

IUPAC3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine
SMILESCS(=O)(=O)c1ccc(C2CCNC2)c(F)c1F
InChIInChI=1S/C11H13F2NO2S/c1-17(15,16)9-3-2-8(10(12)11(9)13)7-4-5-14-6-7/h2-3,7,14H,4-6H2,1H3
InChIKeyUWAUXYUQZKBHSZ-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.45
Rot. Bonds2

About 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine

3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine (PubChem CID 117407174) has the molecular formula C11H13F2NO2S and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine
PubChem CID117407174
Molecular FormulaC11H13F2NO2S
Molecular Weight261.29 g/mol
Exact Mass261.06
IUPAC Name3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine
SMILESCS(=O)(=O)c1ccc(C2CCNC2)c(F)c1F
InChIInChI=1S/C11H13F2NO2S/c1-17(15,16)9-3-2-8(10(12)11(9)13)7-4-5-14-6-7/h2-3,7,14H,4-6H2,1H3
InChIKeyUWAUXYUQZKBHSZ-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine?
The IUPAC name of 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine (CID 117407174) is 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine.
What is the SMILES notation for 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine?
The canonical SMILES for 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine is CS(=O)(=O)c1ccc(C2CCNC2)c(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine?
The InChIKey is UWAUXYUQZKBHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2S/c1-17(15,16)9-3-2-8(10(12)11(9)13)7-4-5-14-6-7/h2-3,7,14H,4-6H2,1H3.
What are the key properties of 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine?
3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine has a molecular weight of 261.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-methylsulfonylphenyl)pyrrolidine is sourced from PubChem (CID 117407174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).