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

C7H4F11N — CID 130266402

IUPAC2,2,3,4,5,6,6-heptafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine
SMILESFCN1C(F)(F)C(F)C(F)(C(F)(F)F)C(F)C1(F)F
InChIInChI=1S/C7H4F11N/c8-1-19-5(12,13)2(9)4(11,7(16,17)18)3(10)6(19,14)15/h2-3H,1H2
InChIKeyIXVCFSUGTNFWTL-UHFFFAOYSA-N
MW311.09 g/mol
LogP3.36
Rot. Bonds1

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

2,2,3,4,5,6,6-heptafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine (PubChem CID 130266402) has the molecular formula C7H4F11N and a molecular weight of 311.09 g/mol. Its IUPAC name is 2,2,3,4,5,6,6-heptafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2,2,3,4,5,6,6-heptafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine
PubChem CID130266402
Molecular FormulaC7H4F11N
Molecular Weight311.09 g/mol
Exact Mass311.02
IUPAC Name2,2,3,4,5,6,6-heptafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine
SMILESFCN1C(F)(F)C(F)C(F)(C(F)(F)F)C(F)C1(F)F
InChIInChI=1S/C7H4F11N/c8-1-19-5(12,13)2(9)4(11,7(16,17)18)3(10)6(19,14)15/h2-3H,1H2
InChIKeyIXVCFSUGTNFWTL-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.09
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,5,6,6-heptafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 2,2,3,4,5,6,6-heptafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine (CID 130266402) is 2,2,3,4,5,6,6-heptafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 2,2,3,4,5,6,6-heptafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 2,2,3,4,5,6,6-heptafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine is FCN1C(F)(F)C(F)C(F)(C(F)(F)F)C(F)C1(F)F.
What is the InChIKey of 2,2,3,4,5,6,6-heptafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine?
The InChIKey is IXVCFSUGTNFWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F11N/c8-1-19-5(12,13)2(9)4(11,7(16,17)18)3(10)6(19,14)15/h2-3H,1H2.
What are the key properties of 2,2,3,4,5,6,6-heptafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine?
2,2,3,4,5,6,6-heptafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine has a molecular weight of 311.09 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,5,6,6-heptafluoro-1-(fluoromethyl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 130266402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).