1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine

C13H11F16NO2 — CID 15414996

IUPAC1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine
SMILESFC(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)N1CCCCC1
InChIInChI=1S/C13H11F16NO2/c14-6(7(15,16)30-4-2-1-3-5-30)31-13(28,29)9(19,11(23,24)25)32-12(26,27)8(17,18)10(20,21)22/h6H,1-5H2
InChIKeyFSZXYNAXZCCDFA-UHFFFAOYSA-N
MW517.20 g/mol
LogP6.01
Rot. Bonds8

About 1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine

1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine (PubChem CID 15414996) has the molecular formula C13H11F16NO2 and a molecular weight of 517.20 g/mol. Its IUPAC name is 1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine
PubChem CID15414996
Molecular FormulaC13H11F16NO2
Molecular Weight517.20 g/mol
Exact Mass517.05
IUPAC Name1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine
SMILESFC(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)N1CCCCC1
InChIInChI=1S/C13H11F16NO2/c14-6(7(15,16)30-4-2-1-3-5-30)31-13(28,29)9(19,11(23,24)25)32-12(26,27)8(17,18)10(20,21)22/h6H,1-5H2
InChIKeyFSZXYNAXZCCDFA-UHFFFAOYSA-N
XLogP6.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.20
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine?
The IUPAC name of 1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine (CID 15414996) is 1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine.
What is the SMILES notation for 1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine?
The canonical SMILES for 1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine is FC(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)N1CCCCC1.
What is the InChIKey of 1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine?
The InChIKey is FSZXYNAXZCCDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F16NO2/c14-6(7(15,16)30-4-2-1-3-5-30)31-13(28,29)9(19,11(23,24)25)32-12(26,27)8(17,18)10(20,21)22/h6H,1-5H2.
What are the key properties of 1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine?
1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine has a molecular weight of 517.20 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,2-trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]piperidine is sourced from PubChem (CID 15414996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).