(E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide

C11H16FNO — CID 144842285

IUPAC(E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide
SMILESC=C(F)/C(=C\CC)NC(=O)/C(C)=C/C
InChIInChI=1S/C11H16FNO/c1-5-7-10(9(4)12)13-11(14)8(3)6-2/h6-7H,4-5H2,1-3H3,(H,13,14)/b8-6+,10-7+
InChIKeyUWDJJMFIOXKZHL-NBANWCDVSA-N
MW197.25 g/mol
LogP2.85
Rot. Bonds4

About (E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide

(E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide (PubChem CID 144842285) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide
PubChem CID144842285
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide
SMILESC=C(F)/C(=C\CC)NC(=O)/C(C)=C/C
InChIInChI=1S/C11H16FNO/c1-5-7-10(9(4)12)13-11(14)8(3)6-2/h6-7H,4-5H2,1-3H3,(H,13,14)/b8-6+,10-7+
InChIKeyUWDJJMFIOXKZHL-NBANWCDVSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.85
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 (E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide 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 (E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide?
The IUPAC name of (E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide (CID 144842285) is (E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide is C=C(F)/C(=C\CC)NC(=O)/C(C)=C/C.
What is the InChIKey of (E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide?
The InChIKey is UWDJJMFIOXKZHL-NBANWCDVSA-N. The full InChI is InChI=1S/C11H16FNO/c1-5-7-10(9(4)12)13-11(14)8(3)6-2/h6-7H,4-5H2,1-3H3,(H,13,14)/b8-6+,10-7+.
What are the key properties of (E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide?
(E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide has a molecular weight of 197.25 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3E)-2-fluorohexa-1,3-dien-3-yl]-2-methylbut-2-enamide is sourced from PubChem (CID 144842285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).