2-[2-(4,4,4-trifluorobutylsulfonyl)ethyl]pyrrolidine

C10H18F3NO2S — CID 123473662

IUPAC2-[2-(4,4,4-trifluorobutylsulfonyl)ethyl]pyrrolidine
SMILESO=S(=O)(CCCC(F)(F)F)CCC1CCCN1
InChIInChI=1S/C10H18F3NO2S/c11-10(12,13)5-2-7-17(15,16)8-4-9-3-1-6-14-9/h9,14H,1-8H2
InChIKeyDFGHWGZOYRVFCM-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.89
Rot. Bonds6

About 2-[2-(4,4,4-trifluorobutylsulfonyl)ethyl]pyrrolidine

2-[2-(4,4,4-trifluorobutylsulfonyl)ethyl]pyrrolidine (PubChem CID 123473662) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-[2-(4,4,4-trifluorobutylsulfonyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(4,4,4-trifluorobutylsulfonyl)ethyl]pyrrolidine
PubChem CID123473662
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name2-[2-(4,4,4-trifluorobutylsulfonyl)ethyl]pyrrolidine
SMILESO=S(=O)(CCCC(F)(F)F)CCC1CCCN1
InChIInChI=1S/C10H18F3NO2S/c11-10(12,13)5-2-7-17(15,16)8-4-9-3-1-6-14-9/h9,14H,1-8H2
InChIKeyDFGHWGZOYRVFCM-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4,4-trifluorobutylsulfonyl)ethyl]pyrrolidine?
The IUPAC name of 2-[2-(4,4,4-trifluorobutylsulfonyl)ethyl]pyrrolidine (CID 123473662) is 2-[2-(4,4,4-trifluorobutylsulfonyl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(4,4,4-trifluorobutylsulfonyl)ethyl]pyrrolidine?
The canonical SMILES for 2-[2-(4,4,4-trifluorobutylsulfonyl)ethyl]pyrrolidine is O=S(=O)(CCCC(F)(F)F)CCC1CCCN1.
What is the InChIKey of 2-[2-(4,4,4-trifluorobutylsulfonyl)ethyl]pyrrolidine?
The InChIKey is DFGHWGZOYRVFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c11-10(12,13)5-2-7-17(15,16)8-4-9-3-1-6-14-9/h9,14H,1-8H2.
What are the key properties of 2-[2-(4,4,4-trifluorobutylsulfonyl)ethyl]pyrrolidine?
2-[2-(4,4,4-trifluorobutylsulfonyl)ethyl]pyrrolidine has a molecular weight of 273.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4,4-trifluorobutylsulfonyl)ethyl]pyrrolidine is sourced from PubChem (CID 123473662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).