(2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide

C8H12FNO — CID 166774925

IUPAC(2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide
SMILESC=C(F)/C=C(\CC)C(=O)NC
InChIInChI=1S/C8H12FNO/c1-4-7(5-6(2)9)8(11)10-3/h5H,2,4H2,1,3H3,(H,10,11)/b7-5+
InChIKeyJUDOIWVDVKMGFN-FNORWQNLSA-N
MW157.19 g/mol
LogP1.55
Rot. Bonds3

About (2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide

(2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide (PubChem CID 166774925) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide
PubChem CID166774925
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide
SMILESC=C(F)/C=C(\CC)C(=O)NC
InChIInChI=1S/C8H12FNO/c1-4-7(5-6(2)9)8(11)10-3/h5H,2,4H2,1,3H3,(H,10,11)/b7-5+
InChIKeyJUDOIWVDVKMGFN-FNORWQNLSA-N
XLogP1.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide 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 (2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide?
The IUPAC name of (2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide (CID 166774925) is (2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide?
The canonical SMILES for (2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide is C=C(F)/C=C(\CC)C(=O)NC.
What is the InChIKey of (2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide?
The InChIKey is JUDOIWVDVKMGFN-FNORWQNLSA-N. The full InChI is InChI=1S/C8H12FNO/c1-4-7(5-6(2)9)8(11)10-3/h5H,2,4H2,1,3H3,(H,10,11)/b7-5+.
What are the key properties of (2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide?
(2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide has a molecular weight of 157.19 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethyl-4-fluoro-N-methylpenta-2,4-dienamide is sourced from PubChem (CID 166774925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).