N-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide

C15H23F2NO2 — CID 173470869

IUPACN-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide
SMILESC=C(C/C=C/C(=C\CC)COC(C)(F)F)CNC(C)=O
InChIInChI=1S/C15H23F2NO2/c1-5-7-14(11-20-15(4,16)17)9-6-8-12(2)10-18-13(3)19/h6-7,9H,2,5,8,10-11H2,1,3-4H3,(H,18,19)/b9-6+,14-7+
InChIKeyQBPMYTVODQOXEH-GTXFBGKMSA-N
MW287.35 g/mol
LogP3.59
Rot. Bonds9

About N-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide

N-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide (PubChem CID 173470869) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide.

Molecular Properties

Compound NameN-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide
PubChem CID173470869
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC NameN-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide
SMILESC=C(C/C=C/C(=C\CC)COC(C)(F)F)CNC(C)=O
InChIInChI=1S/C15H23F2NO2/c1-5-7-14(11-20-15(4,16)17)9-6-8-12(2)10-18-13(3)19/h6-7,9H,2,5,8,10-11H2,1,3-4H3,(H,18,19)/b9-6+,14-7+
InChIKeyQBPMYTVODQOXEH-GTXFBGKMSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide?
The IUPAC name of N-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide (CID 173470869) is N-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide.
What is the SMILES notation for N-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide?
The canonical SMILES for N-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide is C=C(C/C=C/C(=C\CC)COC(C)(F)F)CNC(C)=O.
What is the InChIKey of N-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide?
The InChIKey is QBPMYTVODQOXEH-GTXFBGKMSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-5-7-14(11-20-15(4,16)17)9-6-8-12(2)10-18-13(3)19/h6-7,9H,2,5,8,10-11H2,1,3-4H3,(H,18,19)/b9-6+,14-7+.
What are the key properties of N-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide?
N-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide has a molecular weight of 287.35 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide is sourced from PubChem (CID 173470869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).