2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine

C8H4F13N — CID 130266501

IUPAC2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine
SMILESFCC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)CC(F)(F)C1(F)F
InChIInChI=1S/C8H4F13N/c9-2-5(14,15)8(20,21)22-6(16,17)3(10,11)1-4(12,13)7(22,18)19/h1-2H2
InChIKeyLPMQOVMQDQWZPZ-UHFFFAOYSA-N
MW361.10 g/mol
LogP4.35
Rot. Bonds3

About 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine

2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine (PubChem CID 130266501) has the molecular formula C8H4F13N and a molecular weight of 361.10 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine
PubChem CID130266501
Molecular FormulaC8H4F13N
Molecular Weight361.10 g/mol
Exact Mass361.01
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine
SMILESFCC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)CC(F)(F)C1(F)F
InChIInChI=1S/C8H4F13N/c9-2-5(14,15)8(20,21)22-6(16,17)3(10,11)1-4(12,13)7(22,18)19/h1-2H2
InChIKeyLPMQOVMQDQWZPZ-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.10
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine (CID 130266501) is 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine is FCC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)CC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine?
The InChIKey is LPMQOVMQDQWZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F13N/c9-2-5(14,15)8(20,21)22-6(16,17)3(10,11)1-4(12,13)7(22,18)19/h1-2H2.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine?
2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine has a molecular weight of 361.10 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine is sourced from PubChem (CID 130266501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).