2-methyl-4-(trifluoromethyl)penta-2,4-dienamide

C7H8F3NO — CID 123576373

IUPAC2-methyl-4-(trifluoromethyl)penta-2,4-dienamide
SMILESC=C(C=C(C)C(N)=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-4(6(11)12)3-5(2)7(8,9)10/h3H,2H2,1H3,(H2,11,12)
InChIKeyNUDTWBUPBYXQAW-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.54
Rot. Bonds2

About 2-methyl-4-(trifluoromethyl)penta-2,4-dienamide

2-methyl-4-(trifluoromethyl)penta-2,4-dienamide (PubChem CID 123576373) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)penta-2,4-dienamide
PubChem CID123576373
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name2-methyl-4-(trifluoromethyl)penta-2,4-dienamide
SMILESC=C(C=C(C)C(N)=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-4(6(11)12)3-5(2)7(8,9)10/h3H,2H2,1H3,(H2,11,12)
InChIKeyNUDTWBUPBYXQAW-UHFFFAOYSA-N
XLogP1.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.54
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 2-methyl-4-(trifluoromethyl)penta-2,4-dienamide?
The IUPAC name of 2-methyl-4-(trifluoromethyl)penta-2,4-dienamide (CID 123576373) is 2-methyl-4-(trifluoromethyl)penta-2,4-dienamide.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)penta-2,4-dienamide?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)penta-2,4-dienamide is C=C(C=C(C)C(N)=O)C(F)(F)F.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)penta-2,4-dienamide?
The InChIKey is NUDTWBUPBYXQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-4(6(11)12)3-5(2)7(8,9)10/h3H,2H2,1H3,(H2,11,12).
What are the key properties of 2-methyl-4-(trifluoromethyl)penta-2,4-dienamide?
2-methyl-4-(trifluoromethyl)penta-2,4-dienamide has a molecular weight of 179.14 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)penta-2,4-dienamide is sourced from PubChem (CID 123576373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).