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

C8H2F15N — CID 130266783

IUPAC2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)piperidine
SMILESFCC(F)(F)N1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8H2F15N/c9-1-2(10,11)24-7(20,21)4(13,14)3(12,6(17,18)19)5(15,16)8(24,22)23/h1H2
InChIKeyWVXDHVFJODLJKX-UHFFFAOYSA-N
MW397.08 g/mol
LogP4.59
Rot. Bonds2

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

2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)piperidine (PubChem CID 130266783) has the molecular formula C8H2F15N and a molecular weight of 397.08 g/mol. Its IUPAC name is 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)piperidine
PubChem CID130266783
Molecular FormulaC8H2F15N
Molecular Weight397.08 g/mol
Exact Mass396.99
IUPAC Name2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)piperidine
SMILESFCC(F)(F)N1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8H2F15N/c9-1-2(10,11)24-7(20,21)4(13,14)3(12,6(17,18)19)5(15,16)8(24,22)23/h1H2
InChIKeyWVXDHVFJODLJKX-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.08
LogP ≤ 54.59
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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Related Compounds

perfluoro-N-(n-propyl)-3-methylpiperidine
CID 87900051
2,2,3,3,4,5,5,6,6-Nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)piperidine
CID 23160651
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(1,1,2,2,3,3-hexafluoropropyl)piperidine
CID 54159724
2,2,3,3,4,4,5,6,6-Nonafluoro-1-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methylpiperidine
CID 59911903
1-[1,1,2,2,3,3,4,5,5,6,6,6-Dodecafluoro-4-(trifluoromethyl)hexyl]-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
CID 91154239
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(1,1,2,2-tetrafluoropropyl)piperidine
CID 129156369
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(1,1,2,3,3,3-hexafluoro-2-methylpropyl)piperidine
CID 129156374
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(1,1,3,3,3-pentafluoropropyl)piperidine
CID 130262465
2,2,3,4,5,6,6-Heptafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine
CID 130266402
2,2,3,3,4,5,5,6,6-Nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine
CID 130266416
2,2,3,3,5,5,6,6-Octafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine
CID 130266501
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(1,1,2,2,3-pentafluoropropyl)piperidine
CID 130266623

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)piperidine (CID 130266783) is 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)piperidine is FCC(F)(F)N1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)piperidine?
The InChIKey is WVXDHVFJODLJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F15N/c9-1-2(10,11)24-7(20,21)4(13,14)3(12,6(17,18)19)5(15,16)8(24,22)23/h1H2.
What are the key properties of 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)piperidine?
2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)piperidine has a molecular weight of 397.08 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,5,5,6,6-nonafluoro-1-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 130266783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).