N-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide

C9H12F3NO2 — CID 142607423

IUPACN-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide
SMILESCC(=O)/C(C)=C(\N(C)C(C)=O)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c1-5(6(2)14)8(9(10,11)12)13(4)7(3)15/h1-4H3/b8-5-
InChIKeyLBRVGXGHRDCFMJ-YVMONPNESA-N
MW223.19 g/mol
LogP1.89
Rot. Bonds2

About N-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide

N-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide (PubChem CID 142607423) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is N-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide
PubChem CID142607423
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC NameN-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide
SMILESCC(=O)/C(C)=C(\N(C)C(C)=O)C(F)(F)F
InChIInChI=1S/C9H12F3NO2/c1-5(6(2)14)8(9(10,11)12)13(4)7(3)15/h1-4H3/b8-5-
InChIKeyLBRVGXGHRDCFMJ-YVMONPNESA-N
XLogP1.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide 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-methyl-N-[(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-yl]acetamide
CID 142607411
N-[(Z)-2,2-difluoro-4-methyl-5-oxohex-3-en-3-yl]-N-methylacetamide
CID 142607460
N-ethyl-N-(3-methyl-4-oxopent-2-en-2-yl)acetamide
CID 91539271

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide?
The IUPAC name of N-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide (CID 142607423) is N-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide is CC(=O)/C(C)=C(\N(C)C(C)=O)C(F)(F)F.
What is the InChIKey of N-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide?
The InChIKey is LBRVGXGHRDCFMJ-YVMONPNESA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-5(6(2)14)8(9(10,11)12)13(4)7(3)15/h1-4H3/b8-5-.
What are the key properties of N-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide?
N-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide has a molecular weight of 223.19 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-1,1,1-trifluoro-3-methyl-4-oxopent-2-en-2-yl]acetamide is sourced from PubChem (CID 142607423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).