(2E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide

C9H10F3NO — CID 143625023

IUPAC(2E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C(/C)C(F)(F)F)C(N)=O
InChIInChI=1S/C9H10F3NO/c1-3-4-7(8(13)14)5-6(2)9(10,11)12/h3-5H,1H2,2H3,(H2,13,14)/b6-5+,7-4+
InChIKeyXRQCEFOYAFYIMD-HVUXDCMCSA-N
MW205.18 g/mol
LogP2.09
Rot. Bonds3

About (2E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide

(2E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide (PubChem CID 143625023) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is (2E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide
PubChem CID143625023
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name(2E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C(/C)C(F)(F)F)C(N)=O
InChIInChI=1S/C9H10F3NO/c1-3-4-7(8(13)14)5-6(2)9(10,11)12/h3-5H,1H2,2H3,(H2,13,14)/b6-5+,7-4+
InChIKeyXRQCEFOYAFYIMD-HVUXDCMCSA-N
XLogP2.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.09
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-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-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-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide?
The IUPAC name of (2E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide (CID 143625023) is (2E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide is C=C/C=C(\C=C(/C)C(F)(F)F)C(N)=O.
What is the InChIKey of (2E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide?
The InChIKey is XRQCEFOYAFYIMD-HVUXDCMCSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-3-4-7(8(13)14)5-6(2)9(10,11)12/h3-5H,1H2,2H3,(H2,13,14)/b6-5+,7-4+.
What are the key properties of (2E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide?
(2E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide has a molecular weight of 205.18 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dienamide is sourced from PubChem (CID 143625023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).