dimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate

C19H20F3NO4 — CID 57116997

IUPACdimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate
SMILESC/N=C1\C=C(C)C(C(=O)OC)C(c2ccc(C(F)(F)F)cc2)C1C(=O)OC
InChIInChI=1S/C19H20F3NO4/c1-10-9-13(23-2)16(18(25)27-4)15(14(10)17(24)26-3)11-5-7-12(8-6-11)19(20,21)22/h5-9,14-16H,1-4H3/b23-13+
InChIKeyUQINCOUWAVVTBE-YDZHTSKRSA-N
MW383.37 g/mol
LogP3.40
Rot. Bonds3

About dimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate

dimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate (PubChem CID 57116997) has the molecular formula C19H20F3NO4 and a molecular weight of 383.37 g/mol. Its IUPAC name is dimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate
PubChem CID57116997
Molecular FormulaC19H20F3NO4
Molecular Weight383.37 g/mol
Exact Mass383.13
IUPAC Namedimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate
SMILESC/N=C1\C=C(C)C(C(=O)OC)C(c2ccc(C(F)(F)F)cc2)C1C(=O)OC
InChIInChI=1S/C19H20F3NO4/c1-10-9-13(23-2)16(18(25)27-4)15(14(10)17(24)26-3)11-5-7-12(8-6-11)19(20,21)22/h5-9,14-16H,1-4H3/b23-13+
InChIKeyUQINCOUWAVVTBE-YDZHTSKRSA-N
XLogP3.40
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze dimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate 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

ethyl 3-(N-acetyl-C-phenylcarbonimidoyl)-2,2-difluoro-4-methylpentanoate
CID 177849952
Dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarboxylate
CID 53663715
Dimethyl 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarboxylate
CID 53825180
Dimethyl 4-(2-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 53904666
Dimethyl 4-[2-(difluoromethyl)phenyl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 53971601
Dimethyl 4-(4-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 54198290
Dimethyl 4-(3-fluorophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate
CID 54306567
Dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate
CID 54355313
Dimethyl 2,6-diethyl-4-(3-fluorophenyl)-3,4-dihydropyridine-3,5-dicarboxylate
CID 54393619
Dimethyl 2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarboxylate
CID 54464273
Diethyl 6-methyl-4-[2-(trifluoromethyl)phenyl]-4,5-dihydropyridazine-3,5-dicarboxylate
CID 57007798
Ethyl 2-(2-propanoyloxyethyl)-6-propyl-5-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylate
CID 57049800

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate?
The IUPAC name of dimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate (CID 57116997) is dimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate is C/N=C1\C=C(C)C(C(=O)OC)C(c2ccc(C(F)(F)F)cc2)C1C(=O)OC.
What is the InChIKey of dimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate?
The InChIKey is UQINCOUWAVVTBE-YDZHTSKRSA-N. The full InChI is InChI=1S/C19H20F3NO4/c1-10-9-13(23-2)16(18(25)27-4)15(14(10)17(24)26-3)11-5-7-12(8-6-11)19(20,21)22/h5-9,14-16H,1-4H3/b23-13+.
What are the key properties of dimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate?
dimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate has a molecular weight of 383.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-methyl-6-methylimino-2-[4-(trifluoromethyl)phenyl]cyclohex-4-ene-1,3-dicarboxylate is sourced from PubChem (CID 57116997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).