2-ethenyl-1,3,5-triazine;trichloromethylbenzene

C12H10Cl3N3 — CID 174829734

IUPAC2-ethenyl-1,3,5-triazine;trichloromethylbenzene
SMILESC=Cc1ncncn1.ClC(Cl)(Cl)c1ccccc1
InChIInChI=1S/C7H5Cl3.C5H5N3/c8-7(9,10)6-4-2-1-3-5-6;1-2-5-7-3-6-4-8-5/h1-5H;2-4H,1H2
InChIKeyIMCJSPREHKEBHJ-UHFFFAOYSA-N
MW302.59 g/mol
LogP4.03
Rot. Bonds1

About 2-ethenyl-1,3,5-triazine;trichloromethylbenzene

2-ethenyl-1,3,5-triazine;trichloromethylbenzene (PubChem CID 174829734) has the molecular formula C12H10Cl3N3 and a molecular weight of 302.59 g/mol. Its IUPAC name is 2-ethenyl-1,3,5-triazine;trichloromethylbenzene.

Molecular Properties

Compound Name2-ethenyl-1,3,5-triazine;trichloromethylbenzene
PubChem CID174829734
Molecular FormulaC12H10Cl3N3
Molecular Weight302.59 g/mol
Exact Mass300.99
IUPAC Name2-ethenyl-1,3,5-triazine;trichloromethylbenzene
SMILESC=Cc1ncncn1.ClC(Cl)(Cl)c1ccccc1
InChIInChI=1S/C7H5Cl3.C5H5N3/c8-7(9,10)6-4-2-1-3-5-6;1-2-5-7-3-6-4-8-5/h1-5H;2-4H,1H2
InChIKeyIMCJSPREHKEBHJ-UHFFFAOYSA-N
XLogP4.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.59
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-4-[2-(4-fluorophenyl)ethynyl]-1,3,5-triazine
CID 20723809
2-(Trichloromethyl)-1,3,5-triazine;1-(trichloromethyl)-3-(trifluoromethyl)benzene
CID 87501958
2-Benzyl-1,3,5-triazine
CID 35145
2-[(E)-2-phenylethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 15596944
4-[(E)-2-(4-methylphenyl)ethenyl]-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 17864488
2-[(E)-2-(4-chlorophenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 18400263
2-Phenyl-4-(trichloromethyl)-1,3,5-triazine
CID 18985813
2-[(E)-2-phenylethenyl]-1,3,5-triazine
CID 21622197
2-[(E)-2-(4-methylphenyl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 21918112
2-(2-Phenylethenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 53426031
2-[3-(4-Methylphenyl)prop-2-enyl]-1,3,5-triazine
CID 53814660
2-(2-Phenylethenyl)-1,3,5-triazine
CID 53901795

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,3,5-triazine;trichloromethylbenzene?
The IUPAC name of 2-ethenyl-1,3,5-triazine;trichloromethylbenzene (CID 174829734) is 2-ethenyl-1,3,5-triazine;trichloromethylbenzene.
What is the SMILES notation for 2-ethenyl-1,3,5-triazine;trichloromethylbenzene?
The canonical SMILES for 2-ethenyl-1,3,5-triazine;trichloromethylbenzene is C=Cc1ncncn1.ClC(Cl)(Cl)c1ccccc1.
What is the InChIKey of 2-ethenyl-1,3,5-triazine;trichloromethylbenzene?
The InChIKey is IMCJSPREHKEBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl3.C5H5N3/c8-7(9,10)6-4-2-1-3-5-6;1-2-5-7-3-6-4-8-5/h1-5H;2-4H,1H2.
What are the key properties of 2-ethenyl-1,3,5-triazine;trichloromethylbenzene?
2-ethenyl-1,3,5-triazine;trichloromethylbenzene has a molecular weight of 302.59 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,3,5-triazine;trichloromethylbenzene is sourced from PubChem (CID 174829734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).