1-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)piperidine

C9H13F6NO — CID 18725553

IUPAC1-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)piperidine
SMILESCOC(F)(F)C(F)(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C9H13F6NO/c1-17-9(14,15)7(10,11)8(12,13)16-5-3-2-4-6-16/h2-6H2,1H3
InChIKeyDTUZNNNQNRZJDL-UHFFFAOYSA-N
MW265.20 g/mol
LogP2.94
Rot. Bonds4

About 1-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)piperidine

1-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)piperidine (PubChem CID 18725553) has the molecular formula C9H13F6NO and a molecular weight of 265.20 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)piperidine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)piperidine
PubChem CID18725553
Molecular FormulaC9H13F6NO
Molecular Weight265.20 g/mol
Exact Mass265.09
IUPAC Name1-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)piperidine
SMILESCOC(F)(F)C(F)(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C9H13F6NO/c1-17-9(14,15)7(10,11)8(12,13)16-5-3-2-4-6-16/h2-6H2,1H3
InChIKeyDTUZNNNQNRZJDL-UHFFFAOYSA-N
XLogP2.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-hexafluoro-3-methoxypropyl)piperidine?
The IUPAC name of 1-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)piperidine (CID 18725553) is 1-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)piperidine.
What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)piperidine?
The canonical SMILES for 1-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)piperidine is COC(F)(F)C(F)(F)C(F)(F)N1CCCCC1.
What is the InChIKey of 1-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)piperidine?
The InChIKey is DTUZNNNQNRZJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO/c1-17-9(14,15)7(10,11)8(12,13)16-5-3-2-4-6-16/h2-6H2,1H3.
What are the key properties of 1-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)piperidine?
1-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)piperidine has a molecular weight of 265.20 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)piperidine is sourced from PubChem (CID 18725553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).