9-(2,2-difluoroethenoxy)-N-(2-methylpropyl)nona-2,4-dienamide

C15H23F2NO2 — CID 57184375

IUPAC9-(2,2-difluoroethenoxy)-N-(2-methylpropyl)nona-2,4-dienamide
SMILESCC(C)CNC(=O)C=CC=CCCCCOC=C(F)F
InChIInChI=1S/C15H23F2NO2/c1-13(2)11-18-15(19)9-7-5-3-4-6-8-10-20-12-14(16)17/h3,5,7,9,12-13H,4,6,8,10-11H2,1-2H3,(H,18,19)
InChIKeyYWPUGEDAHCEMPN-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.80
Rot. Bonds10

About 9-(2,2-difluoroethenoxy)-N-(2-methylpropyl)nona-2,4-dienamide

9-(2,2-difluoroethenoxy)-N-(2-methylpropyl)nona-2,4-dienamide (PubChem CID 57184375) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 9-(2,2-difluoroethenoxy)-N-(2-methylpropyl)nona-2,4-dienamide.

Molecular Properties

Compound Name9-(2,2-difluoroethenoxy)-N-(2-methylpropyl)nona-2,4-dienamide
PubChem CID57184375
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name9-(2,2-difluoroethenoxy)-N-(2-methylpropyl)nona-2,4-dienamide
SMILESCC(C)CNC(=O)C=CC=CCCCCOC=C(F)F
InChIInChI=1S/C15H23F2NO2/c1-13(2)11-18-15(19)9-7-5-3-4-6-8-10-20-12-14(16)17/h3,5,7,9,12-13H,4,6,8,10-11H2,1-2H3,(H,18,19)
InChIKeyYWPUGEDAHCEMPN-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(2,2-difluoroethenoxy)-N-(2-methylpropyl)nona-2,4-dienamide?
The IUPAC name of 9-(2,2-difluoroethenoxy)-N-(2-methylpropyl)nona-2,4-dienamide (CID 57184375) is 9-(2,2-difluoroethenoxy)-N-(2-methylpropyl)nona-2,4-dienamide.
What is the SMILES notation for 9-(2,2-difluoroethenoxy)-N-(2-methylpropyl)nona-2,4-dienamide?
The canonical SMILES for 9-(2,2-difluoroethenoxy)-N-(2-methylpropyl)nona-2,4-dienamide is CC(C)CNC(=O)C=CC=CCCCCOC=C(F)F.
What is the InChIKey of 9-(2,2-difluoroethenoxy)-N-(2-methylpropyl)nona-2,4-dienamide?
The InChIKey is YWPUGEDAHCEMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-13(2)11-18-15(19)9-7-5-3-4-6-8-10-20-12-14(16)17/h3,5,7,9,12-13H,4,6,8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 9-(2,2-difluoroethenoxy)-N-(2-methylpropyl)nona-2,4-dienamide?
9-(2,2-difluoroethenoxy)-N-(2-methylpropyl)nona-2,4-dienamide has a molecular weight of 287.35 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2-difluoroethenoxy)-N-(2-methylpropyl)nona-2,4-dienamide is sourced from PubChem (CID 57184375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).