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

C9F19N — CID 87900051

IUPAC2,2,3,3,4,4,5,6,6-nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)piperidine
SMILESFC(F)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C9F19N/c10-1(5(17,18)19)2(11,12)3(13,14)8(25,26)29(7(1,23)24)9(27,28)4(15,16)6(20,21)22
InChIKeyZSRHCUVWKKUXMF-UHFFFAOYSA-N
MW483.07 g/mol
LogP5.82
Rot. Bonds2

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

2,2,3,3,4,4,5,6,6-nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)piperidine (PubChem CID 87900051) has the molecular formula C9F19N and a molecular weight of 483.07 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,6,6-nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,6,6-nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)piperidine
PubChem CID87900051
Molecular FormulaC9F19N
Molecular Weight483.07 g/mol
Exact Mass482.97
IUPAC Name2,2,3,3,4,4,5,6,6-nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)piperidine
SMILESFC(F)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C9F19N/c10-1(5(17,18)19)2(11,12)3(13,14)8(25,26)29(7(1,23)24)9(27,28)4(15,16)6(20,21)22
InChIKeyZSRHCUVWKKUXMF-UHFFFAOYSA-N
XLogP5.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.07
LogP ≤ 55.82
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 2,2,3,3,4,4,5,6,6-nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)piperidine?
The IUPAC name of 2,2,3,3,4,4,5,6,6-nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)piperidine (CID 87900051) is 2,2,3,3,4,4,5,6,6-nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)piperidine.
What is the SMILES notation for 2,2,3,3,4,4,5,6,6-nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)piperidine?
The canonical SMILES for 2,2,3,3,4,4,5,6,6-nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)piperidine is FC(F)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,6,6-nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)piperidine?
The InChIKey is ZSRHCUVWKKUXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F19N/c10-1(5(17,18)19)2(11,12)3(13,14)8(25,26)29(7(1,23)24)9(27,28)4(15,16)6(20,21)22.
What are the key properties of 2,2,3,3,4,4,5,6,6-nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)piperidine?
2,2,3,3,4,4,5,6,6-nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)piperidine has a molecular weight of 483.07 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,6,6-nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 87900051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).