2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide

C12H19F3N2O — CID 123467636

IUPAC2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide
SMILESCC(C)CC=C(C=C(C(N)=O)N(C)C)C(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-8(2)5-6-9(12(13,14)15)7-10(11(16)18)17(3)4/h6-8H,5H2,1-4H3,(H2,16,18)
InChIKeyYGFQFKYAIPCXCQ-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.45
Rot. Bonds5

About 2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide

2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide (PubChem CID 123467636) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide.

Molecular Properties

Compound Name2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide
PubChem CID123467636
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide
SMILESCC(C)CC=C(C=C(C(N)=O)N(C)C)C(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-8(2)5-6-9(12(13,14)15)7-10(11(16)18)17(3)4/h6-8H,5H2,1-4H3,(H2,16,18)
InChIKeyYGFQFKYAIPCXCQ-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-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

Related Compounds

3-methylbutanal;2,2,2-trifluoroacetic acid
CID 175965377
2-(dimethylamino)but-2-enamide;hydrochloride
CID 160636398
(E)-1-amino-4-methylpent-1-ene-1-thiol
CID 166985345
3-(3-methylbutylidene)pentane-2,4-dione
CID 12838642
(1E)-N-methyl-N-propan-2-yl-2-(trifluoromethyl)buta-1,3-dien-1-amine;propane
CID 156717514
[1,7-diamino-3-cyano-6-(dimethylamino)-1,7-dioxohepta-3,5-dien-2-yl] 2,2,2-trifluoroacetate
CID 175229079
(E)-N,N-dimethyl-3-(trifluoromethyl)pent-2-enamide
CID 162574267
bis(2-methylpropyl) 2-(3-methylbutylidene)propanedioate
CID 90311508
2,5-dimethylhept-2-enamide
CID 140547183
N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid
CID 174488749
(3S,5Z)-3-triethylsilyloxy-6-(trifluoromethyl)octa-5,7-dien-2-one
CID 140537693
[4,4,4-trifluoro-3-oxo-2-(2,2,2-trifluoroacetyl)but-1-enyl] 2-methylpropanoate
CID 150888506

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide?
The IUPAC name of 2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide (CID 123467636) is 2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide.
What is the SMILES notation for 2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide?
The canonical SMILES for 2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide is CC(C)CC=C(C=C(C(N)=O)N(C)C)C(F)(F)F.
What is the InChIKey of 2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide?
The InChIKey is YGFQFKYAIPCXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-8(2)5-6-9(12(13,14)15)7-10(11(16)18)17(3)4/h6-8H,5H2,1-4H3,(H2,16,18).
What are the key properties of 2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide?
2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide has a molecular weight of 264.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide is sourced from PubChem (CID 123467636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).