1-[8-(2,2-difluoropropoxy)octyl]piperidine

C16H31F2NO — CID 58341552

IUPAC1-[8-(2,2-difluoropropoxy)octyl]piperidine
SMILESCC(F)(F)COCCCCCCCCN1CCCCC1
InChIInChI=1S/C16H31F2NO/c1-16(17,18)15-20-14-10-5-3-2-4-7-11-19-12-8-6-9-13-19/h2-15H2,1H3
InChIKeyVPMZMULFVUUXGS-UHFFFAOYSA-N
MW291.43 g/mol
LogP4.48
Rot. Bonds11

About 1-[8-(2,2-difluoropropoxy)octyl]piperidine

1-[8-(2,2-difluoropropoxy)octyl]piperidine (PubChem CID 58341552) has the molecular formula C16H31F2NO and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-[8-(2,2-difluoropropoxy)octyl]piperidine.

Molecular Properties

Compound Name1-[8-(2,2-difluoropropoxy)octyl]piperidine
PubChem CID58341552
Molecular FormulaC16H31F2NO
Molecular Weight291.43 g/mol
Exact Mass291.24
IUPAC Name1-[8-(2,2-difluoropropoxy)octyl]piperidine
SMILESCC(F)(F)COCCCCCCCCN1CCCCC1
InChIInChI=1S/C16H31F2NO/c1-16(17,18)15-20-14-10-5-3-2-4-7-11-19-12-8-6-9-13-19/h2-15H2,1H3
InChIKeyVPMZMULFVUUXGS-UHFFFAOYSA-N
XLogP4.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(2,2-difluoropropoxy)octyl]piperidine?
The IUPAC name of 1-[8-(2,2-difluoropropoxy)octyl]piperidine (CID 58341552) is 1-[8-(2,2-difluoropropoxy)octyl]piperidine.
What is the SMILES notation for 1-[8-(2,2-difluoropropoxy)octyl]piperidine?
The canonical SMILES for 1-[8-(2,2-difluoropropoxy)octyl]piperidine is CC(F)(F)COCCCCCCCCN1CCCCC1.
What is the InChIKey of 1-[8-(2,2-difluoropropoxy)octyl]piperidine?
The InChIKey is VPMZMULFVUUXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F2NO/c1-16(17,18)15-20-14-10-5-3-2-4-7-11-19-12-8-6-9-13-19/h2-15H2,1H3.
What are the key properties of 1-[8-(2,2-difluoropropoxy)octyl]piperidine?
1-[8-(2,2-difluoropropoxy)octyl]piperidine has a molecular weight of 291.43 g/mol, XLogP of 4.48, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2,2-difluoropropoxy)octyl]piperidine is sourced from PubChem (CID 58341552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).