2-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine

C11H7Cl3FN3 — CID 18989021

IUPAC2-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine
SMILESCc1nc(-c2ccc(F)cc2)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C11H7Cl3FN3/c1-6-16-9(7-2-4-8(15)5-3-7)18-10(17-6)11(12,13)14/h2-5H,1H3
InChIKeyYUSRAROLXZPWQX-UHFFFAOYSA-N
MW306.56 g/mol
LogP3.81
Rot. Bonds1

About 2-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine

2-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine (PubChem CID 18989021) has the molecular formula C11H7Cl3FN3 and a molecular weight of 306.56 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine
PubChem CID18989021
Molecular FormulaC11H7Cl3FN3
Molecular Weight306.56 g/mol
Exact Mass304.97
IUPAC Name2-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine
SMILESCc1nc(-c2ccc(F)cc2)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C11H7Cl3FN3/c1-6-16-9(7-2-4-8(15)5-3-7)18-10(17-6)11(12,13)14/h2-5H,1H3
InChIKeyYUSRAROLXZPWQX-UHFFFAOYSA-N
XLogP3.81
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.56
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine (CID 18989021) is 2-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine is Cc1nc(-c2ccc(F)cc2)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine?
The InChIKey is YUSRAROLXZPWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3FN3/c1-6-16-9(7-2-4-8(15)5-3-7)18-10(17-6)11(12,13)14/h2-5H,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine?
2-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine has a molecular weight of 306.56 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 18989021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).