(2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide

C10H12F3NO — CID 89361955

IUPAC(2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide
SMILESC/C=C\C=C(/C=C(\C)C(N)=O)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-3-4-5-8(10(11,12)13)6-7(2)9(14)15/h3-6H,1-2H3,(H2,14,15)/b4-3-,7-6+,8-5+
InChIKeyWNMMVEPPYLWXTA-PEHJDXBOSA-N
MW219.21 g/mol
LogP2.48
Rot. Bonds3

About (2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide

(2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide (PubChem CID 89361955) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is (2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide.

Molecular Properties

Compound Name(2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide
PubChem CID89361955
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name(2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide
SMILESC/C=C\C=C(/C=C(\C)C(N)=O)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-3-4-5-8(10(11,12)13)6-7(2)9(14)15/h3-6H,1-2H3,(H2,14,15)/b4-3-,7-6+,8-5+
InChIKeyWNMMVEPPYLWXTA-PEHJDXBOSA-N
XLogP2.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.48
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide?
The IUPAC name of (2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide (CID 89361955) is (2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide.
What is the SMILES notation for (2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide?
The canonical SMILES for (2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide is C/C=C\C=C(/C=C(\C)C(N)=O)C(F)(F)F.
What is the InChIKey of (2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide?
The InChIKey is WNMMVEPPYLWXTA-PEHJDXBOSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-3-4-5-8(10(11,12)13)6-7(2)9(14)15/h3-6H,1-2H3,(H2,14,15)/b4-3-,7-6+,8-5+.
What are the key properties of (2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide?
(2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide has a molecular weight of 219.21 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-2-methyl-4-(trifluoromethyl)octa-2,4,6-trienamide is sourced from PubChem (CID 89361955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).