2-phenyl-4-(trichloromethyl)-1,3,5-triazine

C10H6Cl3N3 — CID 18985813

IUPAC2-phenyl-4-(trichloromethyl)-1,3,5-triazine
SMILESClC(Cl)(Cl)c1ncnc(-c2ccccc2)n1
InChIInChI=1S/C10H6Cl3N3/c11-10(12,13)9-15-6-14-8(16-9)7-4-2-1-3-5-7/h1-6H
InChIKeyZAUJDNGIUSWSNE-UHFFFAOYSA-N
MW274.54 g/mol
LogP3.37
Rot. Bonds1

About 2-phenyl-4-(trichloromethyl)-1,3,5-triazine

2-phenyl-4-(trichloromethyl)-1,3,5-triazine (PubChem CID 18985813) has the molecular formula C10H6Cl3N3 and a molecular weight of 274.54 g/mol. Its IUPAC name is 2-phenyl-4-(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(trichloromethyl)-1,3,5-triazine
PubChem CID18985813
Molecular FormulaC10H6Cl3N3
Molecular Weight274.54 g/mol
Exact Mass272.96
IUPAC Name2-phenyl-4-(trichloromethyl)-1,3,5-triazine
SMILESClC(Cl)(Cl)c1ncnc(-c2ccccc2)n1
InChIInChI=1S/C10H6Cl3N3/c11-10(12,13)9-15-6-14-8(16-9)7-4-2-1-3-5-7/h1-6H
InChIKeyZAUJDNGIUSWSNE-UHFFFAOYSA-N
XLogP3.37
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.54
LogP ≤ 53.37
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-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-4-(trichloromethyl)-1,3,5-triazine
CID 172779080
CID 158164242
CID 158164242
2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 151473661
2,4-bis(trichloromethyl)-1,3,5-triazine;styrene
CID 143216242
2-phenyl-4-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 134581962
acetic acid;2,4-diphenyl-1,3,5-triazine;ethane
CID 91591144
2-phenyl-4-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 149165836
2,4-diphenyl-1,3,5-triazine;oxolane
CID 174946165
chloromethane;bis(2-[4-(2-phenylethyl)phenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine)
CID 161153571
chloromethane;bis(2-[4-(2-phenylethenyl)phenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine)
CID 158786796
2-(3-methylphenyl)-4-phenyl-1,3,5-triazine
CID 134408534
2-phenyl-4-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 118583036

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(trichloromethyl)-1,3,5-triazine (CID 18985813) is 2-phenyl-4-(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(trichloromethyl)-1,3,5-triazine is ClC(Cl)(Cl)c1ncnc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-4-(trichloromethyl)-1,3,5-triazine?
The InChIKey is ZAUJDNGIUSWSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3/c11-10(12,13)9-15-6-14-8(16-9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2-phenyl-4-(trichloromethyl)-1,3,5-triazine?
2-phenyl-4-(trichloromethyl)-1,3,5-triazine has a molecular weight of 274.54 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 18985813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).