2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine

C10H6Cl2FN3 — CID 79690163

IUPAC2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine
SMILESCc1cc(F)cc(-c2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C10H6Cl2FN3/c1-5-2-6(4-7(13)3-5)8-14-9(11)16-10(12)15-8/h2-4H,1H3
InChIKeyFCVAFAZJYOTVRT-UHFFFAOYSA-N
MW258.08 g/mol
LogP3.29
Rot. Bonds1

About 2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine

2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine (PubChem CID 79690163) has the molecular formula C10H6Cl2FN3 and a molecular weight of 258.08 g/mol. Its IUPAC name is 2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine
PubChem CID79690163
Molecular FormulaC10H6Cl2FN3
Molecular Weight258.08 g/mol
Exact Mass256.99
IUPAC Name2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine
SMILESCc1cc(F)cc(-c2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C10H6Cl2FN3/c1-5-2-6(4-7(13)3-5)8-14-9(11)16-10(12)15-8/h2-4H,1H3
InChIKeyFCVAFAZJYOTVRT-UHFFFAOYSA-N
XLogP3.29
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine (CID 79690163) is 2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine is Cc1cc(F)cc(-c2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of 2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine?
The InChIKey is FCVAFAZJYOTVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3/c1-5-2-6(4-7(13)3-5)8-14-9(11)16-10(12)15-8/h2-4H,1H3.
What are the key properties of 2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine?
2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine has a molecular weight of 258.08 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 79690163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).