2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine

C16H9Cl6N3O — CID 175049139

IUPAC2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESCOc1cccc2ccc(-c3nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n3)cc12
InChIInChI=1S/C16H9Cl6N3O/c1-26-11-4-2-3-8-5-6-9(7-10(8)11)12-23-13(15(17,18)19)25-14(24-12)16(20,21)22/h2-7H,1H3
InChIKeyMJLVEFKUTGVJHR-UHFFFAOYSA-N
MW471.99 g/mol
LogP6.35
Rot. Bonds2

About 2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine

2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine (PubChem CID 175049139) has the molecular formula C16H9Cl6N3O and a molecular weight of 471.99 g/mol. Its IUPAC name is 2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine
PubChem CID175049139
Molecular FormulaC16H9Cl6N3O
Molecular Weight471.99 g/mol
Exact Mass468.89
IUPAC Name2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESCOc1cccc2ccc(-c3nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n3)cc12
InChIInChI=1S/C16H9Cl6N3O/c1-26-11-4-2-3-8-5-6-9(7-10(8)11)12-23-13(15(17,18)19)25-14(24-12)16(20,21)22/h2-7H,1H3
InChIKeyMJLVEFKUTGVJHR-UHFFFAOYSA-N
XLogP6.35
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.99
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-2-methoxyphenoxy]propanoic acid
CID 159011649
2-ethenyl-4,6-bis(trichloromethyl)-1,3,5-triazine;1,2,3-trimethoxybenzene
CID 174947663
methyl 3-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate
CID 14572905
2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 22614157
(8-methoxynaphthalen-2-yl)methyl-trimethylsilane
CID 134969551
chloromethane;bis(2-[4-(2-phenylethyl)phenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine)
CID 161153571
3-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-9-(2-phenoxyethyl)carbazole
CID 87294292
2-[3-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]phenyl]butanethioic S-acid
CID 174965769
2-[4-[4-(3,4-dimethoxyphenyl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 85472663
methyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzenesulfonate
CID 58719245
2-(8-methoxynaphthalen-2-yl)-2-methylpropan-1-amine
CID 105487006
1-[4-(3,4-dimethoxyphenyl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]-4-methyl-1,4-diazepane
CID 118250354

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine (CID 175049139) is 2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine is COc1cccc2ccc(-c3nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n3)cc12.
What is the InChIKey of 2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
The InChIKey is MJLVEFKUTGVJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl6N3O/c1-26-11-4-2-3-8-5-6-9(7-10(8)11)12-23-13(15(17,18)19)25-14(24-12)16(20,21)22/h2-7H,1H3.
What are the key properties of 2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine has a molecular weight of 471.99 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxynaphthalen-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 175049139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).