(3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide

C9H12FNO — CID 88586585

IUPAC(3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide
SMILESC=C/C(F)=C\C=C(/C)CC(N)=O
InChIInChI=1S/C9H12FNO/c1-3-8(10)5-4-7(2)6-9(11)12/h3-5H,1,6H2,2H3,(H2,11,12)/b7-4+,8-5+
InChIKeyQYOZAELWBDWUSX-NSLJXJERSA-N
MW169.20 g/mol
LogP1.85
Rot. Bonds4

About (3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide

(3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide (PubChem CID 88586585) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is (3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide.

Molecular Properties

Compound Name(3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide
PubChem CID88586585
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name(3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide
SMILESC=C/C(F)=C\C=C(/C)CC(N)=O
InChIInChI=1S/C9H12FNO/c1-3-8(10)5-4-7(2)6-9(11)12/h3-5H,1,6H2,2H3,(H2,11,12)/b7-4+,8-5+
InChIKeyQYOZAELWBDWUSX-NSLJXJERSA-N
XLogP1.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide with MolForge

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

Launch Full Analysis

Related Compounds

11-Tetradecatetraenamide
CID 129847889
12-Tetradecapentaenamide
CID 129847893
8-Decatrienamide
CID 129848103
2-(4-Fluorocyclohexa-1,5-dien-1-yl)-2-phosphanylacetamide
CID 68363007
6-Fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 69241906
(4Z,6E)-6-fluoronona-4,6,8-trienamide
CID 88586588
(Z,2E)-2-ethylidene-5-fluoro-5-methylhex-3-enamide
CID 89044295
(3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide
CID 89270020
7,7,7-Trifluoro-3,6-dimethyl-2-methylidenehepta-3,5-dienamide
CID 123318239
(4E,6E)-7-fluoro-4-methylnona-4,6-dienamide
CID 126690279
5-Fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide
CID 129273137
2-(4-Fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 132159217

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide?
The IUPAC name of (3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide (CID 88586585) is (3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide.
What is the SMILES notation for (3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide?
The canonical SMILES for (3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide is C=C/C(F)=C\C=C(/C)CC(N)=O.
What is the InChIKey of (3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide?
The InChIKey is QYOZAELWBDWUSX-NSLJXJERSA-N. The full InChI is InChI=1S/C9H12FNO/c1-3-8(10)5-4-7(2)6-9(11)12/h3-5H,1,6H2,2H3,(H2,11,12)/b7-4+,8-5+.
What are the key properties of (3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide?
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide has a molecular weight of 169.20 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide is sourced from PubChem (CID 88586585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).