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

C7H2F13N — CID 130266416

IUPAC2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine
SMILESFCN1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C7H2F13N/c8-1-21-6(17,18)3(10,11)2(9,5(14,15)16)4(12,13)7(21,19)20/h1H2
InChIKeyVZIFPOMKNMAMHT-UHFFFAOYSA-N
MW347.07 g/mol
LogP3.96
Rot. Bonds1

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

2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine (PubChem CID 130266416) has the molecular formula C7H2F13N and a molecular weight of 347.07 g/mol. Its IUPAC name is 2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine
PubChem CID130266416
Molecular FormulaC7H2F13N
Molecular Weight347.07 g/mol
Exact Mass347.00
IUPAC Name2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine
SMILESFCN1C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C7H2F13N/c8-1-21-6(17,18)3(10,11)2(9,5(14,15)16)4(12,13)7(21,19)20/h1H2
InChIKeyVZIFPOMKNMAMHT-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.07
LogP ≤ 53.96
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 2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine (CID 130266416) is 2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine is FCN1C(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-(fluoromethyl)-4-(trifluoromethyl)piperidine?
The InChIKey is VZIFPOMKNMAMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F13N/c8-1-21-6(17,18)3(10,11)2(9,5(14,15)16)4(12,13)7(21,19)20/h1H2.
What are the key properties of 2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine?
2,2,3,3,4,5,5,6,6-nonafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine has a molecular weight of 347.07 g/mol, XLogP of 3.96, 1 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-(fluoromethyl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 130266416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).