1-ethylsulfonyl-3-fluoropyrrolidine

C6H12FNO2S — CID 145194176

IUPAC1-ethylsulfonyl-3-fluoropyrrolidine
SMILESCCS(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C6H12FNO2S/c1-2-11(9,10)8-4-3-6(7)5-8/h6H,2-5H2,1H3
InChIKeyVBDITDXFTONRFT-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.38
Rot. Bonds2

About 1-ethylsulfonyl-3-fluoropyrrolidine

1-ethylsulfonyl-3-fluoropyrrolidine (PubChem CID 145194176) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-ethylsulfonyl-3-fluoropyrrolidine.

Molecular Properties

Compound Name1-ethylsulfonyl-3-fluoropyrrolidine
PubChem CID145194176
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name1-ethylsulfonyl-3-fluoropyrrolidine
SMILESCCS(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C6H12FNO2S/c1-2-11(9,10)8-4-3-6(7)5-8/h6H,2-5H2,1H3
InChIKeyVBDITDXFTONRFT-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 1-ethylsulfonyl-3-fluoropyrrolidine?
The IUPAC name of 1-ethylsulfonyl-3-fluoropyrrolidine (CID 145194176) is 1-ethylsulfonyl-3-fluoropyrrolidine.
What is the SMILES notation for 1-ethylsulfonyl-3-fluoropyrrolidine?
The canonical SMILES for 1-ethylsulfonyl-3-fluoropyrrolidine is CCS(=O)(=O)N1CCC(F)C1.
What is the InChIKey of 1-ethylsulfonyl-3-fluoropyrrolidine?
The InChIKey is VBDITDXFTONRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-2-11(9,10)8-4-3-6(7)5-8/h6H,2-5H2,1H3.
What are the key properties of 1-ethylsulfonyl-3-fluoropyrrolidine?
1-ethylsulfonyl-3-fluoropyrrolidine 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 1-ethylsulfonyl-3-fluoropyrrolidine is sourced from PubChem (CID 145194176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).