1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine

C11H15F8NO — CID 134263894

IUPAC1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine
SMILESCC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)N1CCCC1
InChIInChI=1S/C11H15F8NO/c1-7(20-4-2-3-5-20)21-6-9(14,15)11(18,19)10(16,17)8(12)13/h7-8H,2-6H2,1H3
InChIKeyRRFXAXPNWWEXTM-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.62
Rot. Bonds7

About 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine

1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine (PubChem CID 134263894) has the molecular formula C11H15F8NO and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine
PubChem CID134263894
Molecular FormulaC11H15F8NO
Molecular Weight329.23 g/mol
Exact Mass329.10
IUPAC Name1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine
SMILESCC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)N1CCCC1
InChIInChI=1S/C11H15F8NO/c1-7(20-4-2-3-5-20)21-6-9(14,15)11(18,19)10(16,17)8(12)13/h7-8H,2-6H2,1H3
InChIKeyRRFXAXPNWWEXTM-UHFFFAOYSA-N
XLogP3.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[Ethoxy(difluoro)methyl]pyrrolidine
CID 18721520
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)pyrrolidine
CID 18725561
1-(2,2-Difluoropropoxymethyl)pyrrolidine
CID 68196822
Fluoroform;1-methyl-1-(propoxymethyl)pyrrolidin-1-ium
CID 69491476
2,2,3,3,4,4,5,5-Octafluoro-1-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine
CID 130407887
1-[1,2,3,3,3-Pentafluoro-2-(2,2,3,4,4,4-hexafluorobutoxymethyl)propyl]pyrrolidine
CID 130418343
1-[1,2,2-Trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine
CID 130418347
1-[1,2,2-Trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]pyrrolidine
CID 130418392
1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine
CID 130418455
1-[2-(2,2,3,3,4,4,5,5-Octafluoropentoxy)ethyl]pyrrolidine
CID 134263884
N,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
CID 138687369
1-Methyl-1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidin-1-ium;iodide
CID 138687385

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine (CID 134263894) is 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine is CC(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)N1CCCC1.
What is the InChIKey of 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine?
The InChIKey is RRFXAXPNWWEXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F8NO/c1-7(20-4-2-3-5-20)21-6-9(14,15)11(18,19)10(16,17)8(12)13/h7-8H,2-6H2,1H3.
What are the key properties of 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine?
1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine has a molecular weight of 329.23 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine is sourced from PubChem (CID 134263894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).