1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)piperidine

C9H10F9N — CID 54432200

IUPAC1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)piperidine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C9H10F9N/c10-6(11,8(14,15)16)7(12,13)9(17,18)19-4-2-1-3-5-19/h1-5H2
InChIKeyWIGDJRPIKQBWRL-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.90
Rot. Bonds3

About 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)piperidine

1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)piperidine (PubChem CID 54432200) has the molecular formula C9H10F9N and a molecular weight of 303.17 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)piperidine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)piperidine
PubChem CID54432200
Molecular FormulaC9H10F9N
Molecular Weight303.17 g/mol
Exact Mass303.07
IUPAC Name1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)piperidine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C9H10F9N/c10-6(11,8(14,15)16)7(12,13)9(17,18)19-4-2-1-3-5-19/h1-5H2
InChIKeyWIGDJRPIKQBWRL-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.90
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 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)piperidine?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)piperidine (CID 54432200) is 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)piperidine.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)piperidine?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)piperidine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N1CCCCC1.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)piperidine?
The InChIKey is WIGDJRPIKQBWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F9N/c10-6(11,8(14,15)16)7(12,13)9(17,18)19-4-2-1-3-5-19/h1-5H2.
What are the key properties of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)piperidine?
1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)piperidine has a molecular weight of 303.17 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)piperidine is sourced from PubChem (CID 54432200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).