2-(fluoromethyl)-1-methylsulfonylpyrrolidine

C6H12FNO2S — CID 130736486

IUPAC2-(fluoromethyl)-1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CCCC1CF
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)8-4-2-3-6(8)5-7/h6H,2-5H2,1H3
InChIKeyCUAJTDQTIORSDA-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.38
Rot. Bonds2

About 2-(fluoromethyl)-1-methylsulfonylpyrrolidine

2-(fluoromethyl)-1-methylsulfonylpyrrolidine (PubChem CID 130736486) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(fluoromethyl)-1-methylsulfonylpyrrolidine.

Molecular Properties

Compound Name2-(fluoromethyl)-1-methylsulfonylpyrrolidine
PubChem CID130736486
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name2-(fluoromethyl)-1-methylsulfonylpyrrolidine
SMILESCS(=O)(=O)N1CCCC1CF
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)8-4-2-3-6(8)5-7/h6H,2-5H2,1H3
InChIKeyCUAJTDQTIORSDA-UHFFFAOYSA-N
XLogP0.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1-methylsulfonylpyrrolidine?
The IUPAC name of 2-(fluoromethyl)-1-methylsulfonylpyrrolidine (CID 130736486) is 2-(fluoromethyl)-1-methylsulfonylpyrrolidine.
What is the SMILES notation for 2-(fluoromethyl)-1-methylsulfonylpyrrolidine?
The canonical SMILES for 2-(fluoromethyl)-1-methylsulfonylpyrrolidine is CS(=O)(=O)N1CCCC1CF.
What is the InChIKey of 2-(fluoromethyl)-1-methylsulfonylpyrrolidine?
The InChIKey is CUAJTDQTIORSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-11(9,10)8-4-2-3-6(8)5-7/h6H,2-5H2,1H3.
What are the key properties of 2-(fluoromethyl)-1-methylsulfonylpyrrolidine?
2-(fluoromethyl)-1-methylsulfonylpyrrolidine has a molecular weight of 181.23 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1-methylsulfonylpyrrolidine is sourced from PubChem (CID 130736486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).