2-[2-(3,5-diethoxyphenyl)ethenyl]-4-(trichloromethyl)-1,3,5-triazine

C16H16Cl3N3O2 — CID 69346368

IUPAC2-[2-(3,5-diethoxyphenyl)ethenyl]-4-(trichloromethyl)-1,3,5-triazine
SMILESCCOc1cc(C=Cc2ncnc(C(Cl)(Cl)Cl)n2)cc(OCC)c1
InChIInChI=1S/C16H16Cl3N3O2/c1-3-23-12-7-11(8-13(9-12)24-4-2)5-6-14-20-10-21-15(22-14)16(17,18)19/h5-10H,3-4H2,1-2H3
InChIKeyGLOIMLRWEQTPBJ-UHFFFAOYSA-N
MW388.68 g/mol
LogP4.67
Rot. Bonds6

About 2-[2-(3,5-diethoxyphenyl)ethenyl]-4-(trichloromethyl)-1,3,5-triazine

2-[2-(3,5-diethoxyphenyl)ethenyl]-4-(trichloromethyl)-1,3,5-triazine (PubChem CID 69346368) has the molecular formula C16H16Cl3N3O2 and a molecular weight of 388.68 g/mol. Its IUPAC name is 2-[2-(3,5-diethoxyphenyl)ethenyl]-4-(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(3,5-diethoxyphenyl)ethenyl]-4-(trichloromethyl)-1,3,5-triazine
PubChem CID69346368
Molecular FormulaC16H16Cl3N3O2
Molecular Weight388.68 g/mol
Exact Mass387.03
IUPAC Name2-[2-(3,5-diethoxyphenyl)ethenyl]-4-(trichloromethyl)-1,3,5-triazine
SMILESCCOc1cc(C=Cc2ncnc(C(Cl)(Cl)Cl)n2)cc(OCC)c1
InChIInChI=1S/C16H16Cl3N3O2/c1-3-23-12-7-11(8-13(9-12)24-4-2)5-6-14-20-10-21-15(22-14)16(17,18)19/h5-10H,3-4H2,1-2H3
InChIKeyGLOIMLRWEQTPBJ-UHFFFAOYSA-N
XLogP4.67
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.68
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-diethoxyphenyl)ethenyl]-4-(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-[2-(3,5-diethoxyphenyl)ethenyl]-4-(trichloromethyl)-1,3,5-triazine (CID 69346368) is 2-[2-(3,5-diethoxyphenyl)ethenyl]-4-(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-[2-(3,5-diethoxyphenyl)ethenyl]-4-(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-[2-(3,5-diethoxyphenyl)ethenyl]-4-(trichloromethyl)-1,3,5-triazine is CCOc1cc(C=Cc2ncnc(C(Cl)(Cl)Cl)n2)cc(OCC)c1.
What is the InChIKey of 2-[2-(3,5-diethoxyphenyl)ethenyl]-4-(trichloromethyl)-1,3,5-triazine?
The InChIKey is GLOIMLRWEQTPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N3O2/c1-3-23-12-7-11(8-13(9-12)24-4-2)5-6-14-20-10-21-15(22-14)16(17,18)19/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-[2-(3,5-diethoxyphenyl)ethenyl]-4-(trichloromethyl)-1,3,5-triazine?
2-[2-(3,5-diethoxyphenyl)ethenyl]-4-(trichloromethyl)-1,3,5-triazine has a molecular weight of 388.68 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-diethoxyphenyl)ethenyl]-4-(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 69346368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).