(Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide

C18H32F3NO — CID 10520811

IUPAC(Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide
SMILESCCCCCC/C=C(/C(=O)N(CCCC)CCCC)C(F)(F)F
InChIInChI=1S/C18H32F3NO/c1-4-7-10-11-12-13-16(18(19,20)21)17(23)22(14-8-5-2)15-9-6-3/h13H,4-12,14-15H2,1-3H3/b16-13-
InChIKeyPSGXZQMCCCJRHT-SSZFMOIBSA-N
MW335.45 g/mol
LogP5.87
Rot. Bonds12

About (Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide

(Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide (PubChem CID 10520811) has the molecular formula C18H32F3NO and a molecular weight of 335.45 g/mol. Its IUPAC name is (Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide.

Molecular Properties

Compound Name(Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide
PubChem CID10520811
Molecular FormulaC18H32F3NO
Molecular Weight335.45 g/mol
Exact Mass335.24
IUPAC Name(Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide
SMILESCCCCCC/C=C(/C(=O)N(CCCC)CCCC)C(F)(F)F
InChIInChI=1S/C18H32F3NO/c1-4-7-10-11-12-13-16(18(19,20)21)17(23)22(14-8-5-2)15-9-6-3/h13H,4-12,14-15H2,1-3H3/b16-13-
InChIKeyPSGXZQMCCCJRHT-SSZFMOIBSA-N
XLogP5.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide 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

N,N-dibutyl-3-ethyl-2-(trifluoromethyl)pent-2-enamide
CID 10518823
(E)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide
CID 10590860
(Z)-N,N-dibutyl-2-(trifluoromethyl)hex-2-enamide
CID 15399687
(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
(Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide
CID 15399695
(2E)-2-[(Z)-but-2-en-2-yl]-N-(3,3-difluoropentyl)-N,4-dimethylpenta-2,4-dienamide;ethane
CID 144144280
N,N-dibutyl-2-cyclohexylidene-3,3,3-trifluoropropanamide
CID 10947134
(Z)-N,N-dibutyl-3-cyclohexyl-2-(trifluoromethyl)prop-2-enamide
CID 11024099
(Z)-N,N-dibutyl-4,4-dimethyl-2-(trifluoromethyl)pent-2-enamide
CID 11415567
(2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide
CID 102136232
(2E)-2-but-2-en-2-yl-N-(3,3-difluoropentyl)-N,4-dimethylpenta-2,4-dienamide
CID 144144281
1-dodecyl-6-methyl-3,4-dihydro-2H-azepin-7-one
CID 19881565

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide?
The IUPAC name of (Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide (CID 10520811) is (Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide.
What is the SMILES notation for (Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide?
The canonical SMILES for (Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide is CCCCCC/C=C(/C(=O)N(CCCC)CCCC)C(F)(F)F.
What is the InChIKey of (Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide?
The InChIKey is PSGXZQMCCCJRHT-SSZFMOIBSA-N. The full InChI is InChI=1S/C18H32F3NO/c1-4-7-10-11-12-13-16(18(19,20)21)17(23)22(14-8-5-2)15-9-6-3/h13H,4-12,14-15H2,1-3H3/b16-13-.
What are the key properties of (Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide?
(Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide has a molecular weight of 335.45 g/mol, XLogP of 5.87, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dibutyl-2-(trifluoromethyl)non-2-enamide is sourced from PubChem (CID 10520811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).