8-piperidin-1-yloctyl 2,2-difluoropropanoate

C16H29F2NO2 — CID 58341561

IUPAC8-piperidin-1-yloctyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCCCCCCCN1CCCCC1
InChIInChI=1S/C16H29F2NO2/c1-16(17,18)15(20)21-14-10-5-3-2-4-7-11-19-12-8-6-9-13-19/h2-14H2,1H3
InChIKeyFWZRHZZNEYCPTM-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.01
Rot. Bonds10

About 8-piperidin-1-yloctyl 2,2-difluoropropanoate

8-piperidin-1-yloctyl 2,2-difluoropropanoate (PubChem CID 58341561) has the molecular formula C16H29F2NO2 and a molecular weight of 305.41 g/mol. Its IUPAC name is 8-piperidin-1-yloctyl 2,2-difluoropropanoate.

Molecular Properties

Compound Name8-piperidin-1-yloctyl 2,2-difluoropropanoate
PubChem CID58341561
Molecular FormulaC16H29F2NO2
Molecular Weight305.41 g/mol
Exact Mass305.22
IUPAC Name8-piperidin-1-yloctyl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OCCCCCCCCN1CCCCC1
InChIInChI=1S/C16H29F2NO2/c1-16(17,18)15(20)21-14-10-5-3-2-4-7-11-19-12-8-6-9-13-19/h2-14H2,1H3
InChIKeyFWZRHZZNEYCPTM-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 8-piperidin-1-yloctyl 2,2-difluoropropanoate?
The IUPAC name of 8-piperidin-1-yloctyl 2,2-difluoropropanoate (CID 58341561) is 8-piperidin-1-yloctyl 2,2-difluoropropanoate.
What is the SMILES notation for 8-piperidin-1-yloctyl 2,2-difluoropropanoate?
The canonical SMILES for 8-piperidin-1-yloctyl 2,2-difluoropropanoate is CC(F)(F)C(=O)OCCCCCCCCN1CCCCC1.
What is the InChIKey of 8-piperidin-1-yloctyl 2,2-difluoropropanoate?
The InChIKey is FWZRHZZNEYCPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2NO2/c1-16(17,18)15(20)21-14-10-5-3-2-4-7-11-19-12-8-6-9-13-19/h2-14H2,1H3.
What are the key properties of 8-piperidin-1-yloctyl 2,2-difluoropropanoate?
8-piperidin-1-yloctyl 2,2-difluoropropanoate has a molecular weight of 305.41 g/mol, XLogP of 4.01, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperidin-1-yloctyl 2,2-difluoropropanoate is sourced from PubChem (CID 58341561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).