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

C11H15F8NO — CID 134263884

IUPAC1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COCCN1CCCC1
InChIInChI=1S/C11H15F8NO/c12-8(13)10(16,17)11(18,19)9(14,15)7-21-6-5-20-3-1-2-4-20/h8H,1-7H2
InChIKeyKYLBTYBMGAIBTA-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.27
Rot. Bonds8

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

1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine (PubChem CID 134263884) has the molecular formula C11H15F8NO and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine
PubChem CID134263884
Molecular FormulaC11H15F8NO
Molecular Weight329.23 g/mol
Exact Mass329.10
IUPAC Name1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COCCN1CCCC1
InChIInChI=1S/C11H15F8NO/c12-8(13)10(16,17)11(18,19)9(14,15)7-21-6-5-20-3-1-2-4-20/h8H,1-7H2
InChIKeyKYLBTYBMGAIBTA-UHFFFAOYSA-N
XLogP3.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.27
H-Bond Donors ≤ 50
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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Related Compounds

1-[1,2,2-Trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine
CID 130418347
1-[(1R)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]pyrrolidine
CID 130418455
1-[1-(2,2,3,3,4,4,5,5-Octafluoropentoxy)ethyl]pyrrolidine
CID 134263894
N-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
CID 134276371
N-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine
CID 134276376
[1,1,2,2,3,4,4-Heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane
CID 134276384
1-[2-(2,2,2-Trifluoroethoxy)ethyl]pyrrolidine
CID 134276388
1-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-1-ium
CID 138687379
1-Methyl-1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidin-1-ium;iodide
CID 138687385
1-Methyl-1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidin-1-ium
CID 138687386
1-[2-(Trifluoromethoxy)ethyl]pyrrolidine
CID 154073939
2-(Ethoxymethyl)-4,4-difluoro-1-methylpyrrolidine
CID 166489046

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine (CID 134263884) is 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine is FC(F)C(F)(F)C(F)(F)C(F)(F)COCCN1CCCC1.
What is the InChIKey of 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine?
The InChIKey is KYLBTYBMGAIBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F8NO/c12-8(13)10(16,17)11(18,19)9(14,15)7-21-6-5-20-3-1-2-4-20/h8H,1-7H2.
What are the key properties of 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine?
1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine has a molecular weight of 329.23 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidine is sourced from PubChem (CID 134263884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).