(4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid

C14H19F3O3 — CID 19842638

IUPAC(4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid
SMILESCC(C)=CCC/C(C)=C/CC(C(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C14H19F3O3/c1-9(2)5-4-6-10(3)7-8-11(13(19)20)12(18)14(15,16)17/h5,7,11H,4,6,8H2,1-3H3,(H,19,20)/b10-7+
InChIKeyFNQMBKJCEPYTAO-JXMROGBWSA-N
MW292.30 g/mol
LogP3.90
Rot. Bonds7

About (4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid

(4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid (PubChem CID 19842638) has the molecular formula C14H19F3O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is (4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid.

Molecular Properties

Compound Name(4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid
PubChem CID19842638
Molecular FormulaC14H19F3O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name(4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid
SMILESCC(C)=CCC/C(C)=C/CC(C(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C14H19F3O3/c1-9(2)5-4-6-10(3)7-8-11(13(19)20)12(18)14(15,16)17/h5,7,11H,4,6,8H2,1-3H3,(H,19,20)/b10-7+
InChIKeyFNQMBKJCEPYTAO-JXMROGBWSA-N
XLogP3.90
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid 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 (4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid?
The IUPAC name of (4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid (CID 19842638) is (4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid.
What is the SMILES notation for (4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid?
The canonical SMILES for (4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid is CC(C)=CCC/C(C)=C/CC(C(=O)O)C(=O)C(F)(F)F.
What is the InChIKey of (4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid?
The InChIKey is FNQMBKJCEPYTAO-JXMROGBWSA-N. The full InChI is InChI=1S/C14H19F3O3/c1-9(2)5-4-6-10(3)7-8-11(13(19)20)12(18)14(15,16)17/h5,7,11H,4,6,8H2,1-3H3,(H,19,20)/b10-7+.
What are the key properties of (4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid?
(4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid has a molecular weight of 292.30 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5,9-dimethyl-2-(2,2,2-trifluoroacetyl)deca-4,8-dienoic acid is sourced from PubChem (CID 19842638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).