1-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine

C11H14F9NO — CID 90154484

IUPAC1-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine
SMILESCC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C11H14F9NO/c1-8(13,14)7(12)22-11(19,20)9(15,16)10(17,18)21-5-3-2-4-6-21/h7H,2-6H2,1H3
InChIKeyAVVWBDYCYZOFOF-UHFFFAOYSA-N
MW347.22 g/mol
LogP4.26
Rot. Bonds6

About 1-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine

1-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine (PubChem CID 90154484) has the molecular formula C11H14F9NO and a molecular weight of 347.22 g/mol. Its IUPAC name is 1-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine
PubChem CID90154484
Molecular FormulaC11H14F9NO
Molecular Weight347.22 g/mol
Exact Mass347.09
IUPAC Name1-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine
SMILESCC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C11H14F9NO/c1-8(13,14)7(12)22-11(19,20)9(15,16)10(17,18)21-5-3-2-4-6-21/h7H,2-6H2,1H3
InChIKeyAVVWBDYCYZOFOF-UHFFFAOYSA-N
XLogP4.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine?
The IUPAC name of 1-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine (CID 90154484) is 1-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine.
What is the SMILES notation for 1-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine?
The canonical SMILES for 1-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine is CC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)N1CCCCC1.
What is the InChIKey of 1-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine?
The InChIKey is AVVWBDYCYZOFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F9NO/c1-8(13,14)7(12)22-11(19,20)9(15,16)10(17,18)21-5-3-2-4-6-21/h7H,2-6H2,1H3.
What are the key properties of 1-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine?
1-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine has a molecular weight of 347.22 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoropropoxy)propyl]piperidine is sourced from PubChem (CID 90154484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).