2-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidine

C11H20F3NO2S — CID 123659943

IUPAC2-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidine
SMILESO=S(=O)(CCCC1CCCN1)CCCC(F)(F)F
InChIInChI=1S/C11H20F3NO2S/c12-11(13,14)6-3-9-18(16,17)8-2-5-10-4-1-7-15-10/h10,15H,1-9H2
InChIKeyLLZSCXKLYAAECJ-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.28
Rot. Bonds7

About 2-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidine

2-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidine (PubChem CID 123659943) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidine
PubChem CID123659943
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC Name2-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidine
SMILESO=S(=O)(CCCC1CCCN1)CCCC(F)(F)F
InChIInChI=1S/C11H20F3NO2S/c12-11(13,14)6-3-9-18(16,17)8-2-5-10-4-1-7-15-10/h10,15H,1-9H2
InChIKeyLLZSCXKLYAAECJ-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyltetrahydrothiophen-3-amine 1,1-dioxide
CID 3152340
(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
(2R,4R)-4-Fluoro-2-(3-((4,4,4-trifluorobutyl)sulfonyl)propyl)pyrrolidine
CID 117927990
(2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]pyrrolidine
CID 117927993
(S)-2-(3-((4,4,4-Trifluorobutyl)sulfonyl)propyl)pyrrolidine
CID 117928012

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidine?
The IUPAC name of 2-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidine (CID 123659943) is 2-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidine.
What is the SMILES notation for 2-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidine?
The canonical SMILES for 2-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidine is O=S(=O)(CCCC1CCCN1)CCCC(F)(F)F.
What is the InChIKey of 2-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidine?
The InChIKey is LLZSCXKLYAAECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c12-11(13,14)6-3-9-18(16,17)8-2-5-10-4-1-7-15-10/h10,15H,1-9H2.
What are the key properties of 2-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidine?
2-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidine has a molecular weight of 287.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4,4-trifluorobutylsulfonyl)propyl]pyrrolidine is sourced from PubChem (CID 123659943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).