2-(1-fluoro-3-methylsulfonylpropyl)pyrrolidine

C8H16FNO2S — CID 106640234

IUPAC2-(1-fluoro-3-methylsulfonylpropyl)pyrrolidine
SMILESCS(=O)(=O)CCC(F)C1CCCN1
InChIInChI=1S/C8H16FNO2S/c1-13(11,12)6-4-7(9)8-3-2-5-10-8/h7-8,10H,2-6H2,1H3
InChIKeyHJXUBYYYJBHTBA-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.51
Rot. Bonds4

About 2-(1-fluoro-3-methylsulfonylpropyl)pyrrolidine

2-(1-fluoro-3-methylsulfonylpropyl)pyrrolidine (PubChem CID 106640234) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(1-fluoro-3-methylsulfonylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-(1-fluoro-3-methylsulfonylpropyl)pyrrolidine
PubChem CID106640234
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name2-(1-fluoro-3-methylsulfonylpropyl)pyrrolidine
SMILESCS(=O)(=O)CCC(F)C1CCCN1
InChIInChI=1S/C8H16FNO2S/c1-13(11,12)6-4-7(9)8-3-2-5-10-8/h7-8,10H,2-6H2,1H3
InChIKeyHJXUBYYYJBHTBA-UHFFFAOYSA-N
XLogP0.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyltetrahydrothiophen-3-amine 1,1-dioxide
CID 3152340
(2R)-2-(methanesulfonylmethyl)pyrrolidine
CID 23401765
2-(2-(Methylsulfonyl)ethyl)piperidine
CID 53485993
3-Fluoro-5-methyl-2-(methylsulfonylmethyl)-1-propan-2-ylpyrrolidine
CID 71221024
(2S)-2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propyl]pyrrolidine
CID 117927712
(2S)-2-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]pyrrolidine
CID 117927753
(S)-2-(3-((3,3,3-Trifluoropropyl)sulfonyl)propyl)pyrrolidine
CID 117927771
(R)-2-(2-((4,4,4-Trifluorobutyl)sulfonyl)ethyl)pyrrolidine
CID 117927797
(2R)-2-[3-(3,3,4,4,4-pentafluorobutylsulfonyl)propyl]pyrrolidine
CID 117927816
(R)-2-(2-((3,3,3-Trifluoropropyl)sulfonyl)ethyl)pyrrolidine
CID 117927821
(2S)-2-[3-(3,3,4,4,4-pentafluorobutylsulfonyl)propyl]pyrrolidine
CID 117927830
(2R)-2-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propyl]pyrrolidine
CID 117927884

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-3-methylsulfonylpropyl)pyrrolidine?
The IUPAC name of 2-(1-fluoro-3-methylsulfonylpropyl)pyrrolidine (CID 106640234) is 2-(1-fluoro-3-methylsulfonylpropyl)pyrrolidine.
What is the SMILES notation for 2-(1-fluoro-3-methylsulfonylpropyl)pyrrolidine?
The canonical SMILES for 2-(1-fluoro-3-methylsulfonylpropyl)pyrrolidine is CS(=O)(=O)CCC(F)C1CCCN1.
What is the InChIKey of 2-(1-fluoro-3-methylsulfonylpropyl)pyrrolidine?
The InChIKey is HJXUBYYYJBHTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-13(11,12)6-4-7(9)8-3-2-5-10-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-(1-fluoro-3-methylsulfonylpropyl)pyrrolidine?
2-(1-fluoro-3-methylsulfonylpropyl)pyrrolidine has a molecular weight of 209.29 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-3-methylsulfonylpropyl)pyrrolidine is sourced from PubChem (CID 106640234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).