dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate

C18H20F3NO4 — CID 54355313

IUPACdimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1C(C)=NC(C)C(C(=O)OC)C1c1ccccc1C(F)(F)F
InChIInChI=1S/C18H20F3NO4/c1-9-13(16(23)25-3)15(14(10(2)22-9)17(24)26-4)11-7-5-6-8-12(11)18(19,20)21/h5-9,13-15H,1-4H3
InChIKeyUISFTHLPVWTHHO-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.23
Rot. Bonds3

About dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate (PubChem CID 54355313) has the molecular formula C18H20F3NO4 and a molecular weight of 371.36 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate
PubChem CID54355313
Molecular FormulaC18H20F3NO4
Molecular Weight371.36 g/mol
Exact Mass371.13
IUPAC Namedimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1C(C)=NC(C)C(C(=O)OC)C1c1ccccc1C(F)(F)F
InChIInChI=1S/C18H20F3NO4/c1-9-13(16(23)25-3)15(14(10(2)22-9)17(24)26-4)11-7-5-6-8-12(11)18(19,20)21/h5-9,13-15H,1-4H3
InChIKeyUISFTHLPVWTHHO-UHFFFAOYSA-N
XLogP3.23
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate with MolForge

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Related Compounds

cyclopentyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridine-3-carboxylate
CID 145917268
methyl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridine-3-carboxylate
CID 145921123
3-acetyl-2-methyl-4-[2-(trifluoromethyl)phenyl]-4,4a,7,7a-tetrahydro-3H-furo[3,4-b]pyridin-5-one
CID 20272963
Methyl 3-cyano-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate
CID 53836632
Diethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate
CID 54227963
Dibutyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate
CID 54521563
2-Methoxyethyl 3-cyano-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylate
CID 56607522
2,6-Dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylic acid
CID 56611758
Dimethyl 4-(3-chloro-2-fluorophenyl)-2,6-dimethyl-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate
CID 56613216
3-ethyl-4-(4-fluorophenyl)-6-methyl-2-propan-2-yl-4,5-dihydro-2H-pyridine-3,5-dicarboxylic acid
CID 56992940
2-Formyl-3-methoxycarbonyl-6-methyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-5-carboxylic acid
CID 57001235
Diethyl 2-methanethioyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate
CID 57017380

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate (CID 54355313) is dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate is COC(=O)C1C(C)=NC(C)C(C(=O)OC)C1c1ccccc1C(F)(F)F.
What is the InChIKey of dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate?
The InChIKey is UISFTHLPVWTHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO4/c1-9-13(16(23)25-3)15(14(10(2)22-9)17(24)26-4)11-7-5-6-8-12(11)18(19,20)21/h5-9,13-15H,1-4H3.
What are the key properties of dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate has a molecular weight of 371.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 54355313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).