N-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide

C13H22FNO — CID 123895817

IUPACN-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide
SMILESCC=C(F)C=C(C)C(C)C(C)NC(=O)CC
InChIInChI=1S/C13H22FNO/c1-6-12(14)8-9(3)10(4)11(5)15-13(16)7-2/h6,8,10-11H,7H2,1-5H3,(H,15,16)
InChIKeyBEBKDQLCKOSUJS-UHFFFAOYSA-N
MW227.32 g/mol
LogP3.36
Rot. Bonds5

About N-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide

N-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide (PubChem CID 123895817) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide
PubChem CID123895817
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC NameN-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide
SMILESCC=C(F)C=C(C)C(C)C(C)NC(=O)CC
InChIInChI=1S/C13H22FNO/c1-6-12(14)8-9(3)10(4)11(5)15-13(16)7-2/h6,8,10-11H,7H2,1-5H3,(H,15,16)
InChIKeyBEBKDQLCKOSUJS-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)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 N-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide?
The IUPAC name of N-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide (CID 123895817) is N-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide.
What is the SMILES notation for N-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide?
The canonical SMILES for N-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide is CC=C(F)C=C(C)C(C)C(C)NC(=O)CC.
What is the InChIKey of N-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide?
The InChIKey is BEBKDQLCKOSUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO/c1-6-12(14)8-9(3)10(4)11(5)15-13(16)7-2/h6,8,10-11H,7H2,1-5H3,(H,15,16).
What are the key properties of N-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide?
N-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide has a molecular weight of 227.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dimethylocta-4,6-dien-2-yl)propanamide is sourced from PubChem (CID 123895817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).