3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide

C13H19F2NO2 — CID 143690454

IUPAC3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide
SMILESC/C=C\C=C/C=C(\C)CNC(=O)CCOC(F)F
InChIInChI=1S/C13H19F2NO2/c1-3-4-5-6-7-11(2)10-16-12(17)8-9-18-13(14)15/h3-7,13H,8-10H2,1-2H3,(H,16,17)/b4-3-,6-5-,11-7+
InChIKeyQQHBYBKWGHVGCC-PTGZOCEZSA-N
MW259.30 g/mol
LogP2.81
Rot. Bonds8

About 3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide

3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide (PubChem CID 143690454) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide
PubChem CID143690454
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide
SMILESC/C=C\C=C/C=C(\C)CNC(=O)CCOC(F)F
InChIInChI=1S/C13H19F2NO2/c1-3-4-5-6-7-11(2)10-16-12(17)8-9-18-13(14)15/h3-7,13H,8-10H2,1-2H3,(H,16,17)/b4-3-,6-5-,11-7+
InChIKeyQQHBYBKWGHVGCC-PTGZOCEZSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide 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 3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide (CID 143690454) is 3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide is C/C=C\C=C/C=C(\C)CNC(=O)CCOC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide?
The InChIKey is QQHBYBKWGHVGCC-PTGZOCEZSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-3-4-5-6-7-11(2)10-16-12(17)8-9-18-13(14)15/h3-7,13H,8-10H2,1-2H3,(H,16,17)/b4-3-,6-5-,11-7+.
What are the key properties of 3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide?
3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide has a molecular weight of 259.30 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(2E,4Z,6Z)-2-methylocta-2,4,6-trienyl]propanamide is sourced from PubChem (CID 143690454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).