2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

C11H3Cl8N3 — CID 22146364

IUPAC2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESClc1cccc(Cl)c1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C11H3Cl8N3/c12-4-2-1-3-5(13)6(4)7-20-8(10(14,15)16)22-9(21-7)11(17,18)19/h1-3H
InChIKeyMNCNHQQFMSMDLP-UHFFFAOYSA-N
MW460.79 g/mol
LogP6.50
Rot. Bonds1

About 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine (PubChem CID 22146364) has the molecular formula C11H3Cl8N3 and a molecular weight of 460.79 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
PubChem CID22146364
Molecular FormulaC11H3Cl8N3
Molecular Weight460.79 g/mol
Exact Mass456.78
IUPAC Name2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESClc1cccc(Cl)c1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C11H3Cl8N3/c12-4-2-1-3-5(13)6(4)7-20-8(10(14,15)16)22-9(21-7)11(17,18)19/h1-3H
InChIKeyMNCNHQQFMSMDLP-UHFFFAOYSA-N
XLogP6.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.79
LogP ≤ 56.50
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

1-chloro-N-(chloromethyl)methanamine;2-(2-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 126707772
4-chloro-6-(2,6-dichlorophenyl)-1,3,5-triazin-2-amine
CID 83240122
4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine
CID 63613499
4-bromo-2-(2,6-dichlorophenyl)-6-methylpyrimidine
CID 165347565
3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine
CID 2726389
6-tert-butyl-2-(2,6-dichlorophenyl)-N-methylpyrimidin-4-amine
CID 63480830
chloromethane;bis(2-[4-(2-phenylethyl)phenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine)
CID 161153571
2-(2,6-difluoro-4-isocyanophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 58085234
2-[4-(2,6-dichlorophenyl)phenyl]pyrimidine
CID 134378286
6-tert-butyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 63479987
3-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 66703225
2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 175049139

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine (CID 22146364) is 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine is Clc1cccc(Cl)c1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
The InChIKey is MNCNHQQFMSMDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3Cl8N3/c12-4-2-1-3-5(13)6(4)7-20-8(10(14,15)16)22-9(21-7)11(17,18)19/h1-3H.
What are the key properties of 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine has a molecular weight of 460.79 g/mol, XLogP of 6.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 22146364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).