1-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]piperidine

C11H16F7NO — CID 59203986

IUPAC1-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]piperidine
SMILESFC(F)(F)C(F)(F)C(F)(F)COCCN1CCCCC1
InChIInChI=1S/C11H16F7NO/c12-9(13,10(14,15)11(16,17)18)8-20-7-6-19-4-2-1-3-5-19/h1-8H2
InChIKeyDZKAKJKZXVZSGA-UHFFFAOYSA-N
MW311.24 g/mol
LogP3.32
Rot. Bonds6

About 1-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]piperidine

1-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]piperidine (PubChem CID 59203986) has the molecular formula C11H16F7NO and a molecular weight of 311.24 g/mol. Its IUPAC name is 1-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]piperidine
PubChem CID59203986
Molecular FormulaC11H16F7NO
Molecular Weight311.24 g/mol
Exact Mass311.11
IUPAC Name1-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]piperidine
SMILESFC(F)(F)C(F)(F)C(F)(F)COCCN1CCCCC1
InChIInChI=1S/C11H16F7NO/c12-9(13,10(14,15)11(16,17)18)8-20-7-6-19-4-2-1-3-5-19/h1-8H2
InChIKeyDZKAKJKZXVZSGA-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 53.32
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]piperidine (CID 59203986) is 1-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]piperidine is FC(F)(F)C(F)(F)C(F)(F)COCCN1CCCCC1.
What is the InChIKey of 1-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]piperidine?
The InChIKey is DZKAKJKZXVZSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F7NO/c12-9(13,10(14,15)11(16,17)18)8-20-7-6-19-4-2-1-3-5-19/h1-8H2.
What are the key properties of 1-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]piperidine?
1-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]piperidine has a molecular weight of 311.24 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl]piperidine is sourced from PubChem (CID 59203986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).