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

C8F17N — CID 71442632

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine
SMILESFC(F)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F17N/c9-1(10)2(11,12)6(20,21)26(7(22,23)3(1,13)14)8(24,25)4(15,16)5(17,18)19
InChIKeyXYPGJVPVOPBFMI-UHFFFAOYSA-N
MW433.06 g/mol
LogP5.18
Rot. Bonds2

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

2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine (PubChem CID 71442632) has the molecular formula C8F17N and a molecular weight of 433.06 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine
PubChem CID71442632
Molecular FormulaC8F17N
Molecular Weight433.06 g/mol
Exact Mass432.98
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine
SMILESFC(F)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F17N/c9-1(10)2(11,12)6(20,21)26(7(22,23)3(1,13)14)8(24,25)4(15,16)5(17,18)19
InChIKeyXYPGJVPVOPBFMI-UHFFFAOYSA-N
XLogP5.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.06
LogP ≤ 55.18
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-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine (CID 71442632) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine is FC(F)(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-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine?
The InChIKey is XYPGJVPVOPBFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F17N/c9-1(10)2(11,12)6(20,21)26(7(22,23)3(1,13)14)8(24,25)4(15,16)5(17,18)19.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine?
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine has a molecular weight of 433.06 g/mol, XLogP of 5.18, 2 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-(1,1,2,2,3,3,3-heptafluoropropyl)piperidine is sourced from PubChem (CID 71442632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).