2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine

C8HF16N — CID 54159724

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine
SMILESFC(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8HF16N/c9-1(10)2(11,12)6(19,20)25-7(21,22)4(15,16)3(13,14)5(17,18)8(25,23)24/h1H
InChIKeyIOYXRNBOFGZMOV-UHFFFAOYSA-N
MW415.07 g/mol
LogP4.89
Rot. Bonds3

About 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine

2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine (PubChem CID 54159724) has the molecular formula C8HF16N and a molecular weight of 415.07 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine
PubChem CID54159724
Molecular FormulaC8HF16N
Molecular Weight415.07 g/mol
Exact Mass414.99
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine
SMILESFC(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8HF16N/c9-1(10)2(11,12)6(19,20)25-7(21,22)4(15,16)3(13,14)5(17,18)8(25,23)24/h1H
InChIKeyIOYXRNBOFGZMOV-UHFFFAOYSA-N
XLogP4.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.07
LogP ≤ 54.89
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 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine (CID 54159724) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine is FC(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine?
The InChIKey is IOYXRNBOFGZMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF16N/c9-1(10)2(11,12)6(19,20)25-7(21,22)4(15,16)3(13,14)5(17,18)8(25,23)24/h1H.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine?
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine has a molecular weight of 415.07 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine is sourced from PubChem (CID 54159724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).