2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine

C11H18F5NS — CID 144798217

IUPAC2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine
SMILESFC(F)(F)C(F)(F)CCCSCCC1CCCN1
InChIInChI=1S/C11H18F5NS/c12-10(13,11(14,15)16)5-2-7-18-8-4-9-3-1-6-17-9/h9,17H,1-8H2
InChIKeyFSJVINQOFZQFTP-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.84
Rot. Bonds7

About 2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine

2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine (PubChem CID 144798217) has the molecular formula C11H18F5NS and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine
PubChem CID144798217
Molecular FormulaC11H18F5NS
Molecular Weight291.33 g/mol
Exact Mass291.11
IUPAC Name2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine
SMILESFC(F)(F)C(F)(F)CCCSCCC1CCCN1
InChIInChI=1S/C11H18F5NS/c12-10(13,11(14,15)16)5-2-7-18-8-4-9-3-1-6-17-9/h9,17H,1-8H2
InChIKeyFSJVINQOFZQFTP-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine?
The IUPAC name of 2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine (CID 144798217) is 2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine?
The canonical SMILES for 2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine is FC(F)(F)C(F)(F)CCCSCCC1CCCN1.
What is the InChIKey of 2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine?
The InChIKey is FSJVINQOFZQFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F5NS/c12-10(13,11(14,15)16)5-2-7-18-8-4-9-3-1-6-17-9/h9,17H,1-8H2.
What are the key properties of 2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine?
2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine has a molecular weight of 291.33 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine is sourced from PubChem (CID 144798217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).