2-(6,6-difluorocyclooct-4-en-1-yl)oxy-N-methylacetamide

C11H17F2NO2 — CID 123606024

IUPAC2-(6,6-difluorocyclooct-4-en-1-yl)oxy-N-methylacetamide
SMILESCNC(=O)COC1CCC=CC(F)(F)CC1
InChIInChI=1S/C11H17F2NO2/c1-14-10(15)8-16-9-4-2-3-6-11(12,13)7-5-9/h3,6,9H,2,4-5,7-8H2,1H3,(H,14,15)
InChIKeyITXZEDHWTZTXPQ-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.88
Rot. Bonds3

About 2-(6,6-difluorocyclooct-4-en-1-yl)oxy-N-methylacetamide

2-(6,6-difluorocyclooct-4-en-1-yl)oxy-N-methylacetamide (PubChem CID 123606024) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-(6,6-difluorocyclooct-4-en-1-yl)oxy-N-methylacetamide.

Molecular Properties

Compound Name2-(6,6-difluorocyclooct-4-en-1-yl)oxy-N-methylacetamide
PubChem CID123606024
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name2-(6,6-difluorocyclooct-4-en-1-yl)oxy-N-methylacetamide
SMILESCNC(=O)COC1CCC=CC(F)(F)CC1
InChIInChI=1S/C11H17F2NO2/c1-14-10(15)8-16-9-4-2-3-6-11(12,13)7-5-9/h3,6,9H,2,4-5,7-8H2,1H3,(H,14,15)
InChIKeyITXZEDHWTZTXPQ-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6,6-difluorocyclooct-4-en-1-yl)oxy-N-methylacetamide?
The IUPAC name of 2-(6,6-difluorocyclooct-4-en-1-yl)oxy-N-methylacetamide (CID 123606024) is 2-(6,6-difluorocyclooct-4-en-1-yl)oxy-N-methylacetamide.
What is the SMILES notation for 2-(6,6-difluorocyclooct-4-en-1-yl)oxy-N-methylacetamide?
The canonical SMILES for 2-(6,6-difluorocyclooct-4-en-1-yl)oxy-N-methylacetamide is CNC(=O)COC1CCC=CC(F)(F)CC1.
What is the InChIKey of 2-(6,6-difluorocyclooct-4-en-1-yl)oxy-N-methylacetamide?
The InChIKey is ITXZEDHWTZTXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-14-10(15)8-16-9-4-2-3-6-11(12,13)7-5-9/h3,6,9H,2,4-5,7-8H2,1H3,(H,14,15).
What are the key properties of 2-(6,6-difluorocyclooct-4-en-1-yl)oxy-N-methylacetamide?
2-(6,6-difluorocyclooct-4-en-1-yl)oxy-N-methylacetamide has a molecular weight of 233.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-difluorocyclooct-4-en-1-yl)oxy-N-methylacetamide is sourced from PubChem (CID 123606024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).