4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine

C15H9Cl2FN4 — CID 135338301

IUPAC4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine
SMILESFc1ccc(-c2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)cc1
InChIInChI=1S/C15H9Cl2FN4/c16-13-20-14(17)22-15(21-13)19-12-7-3-10(4-8-12)9-1-5-11(18)6-2-9/h1-8H,(H,19,20,21,22)
InChIKeyDUROVTLUQOYUPH-UHFFFAOYSA-N
MW335.17 g/mol
LogP4.73
Rot. Bonds3

About 4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine

4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 135338301) has the molecular formula C15H9Cl2FN4 and a molecular weight of 335.17 g/mol. Its IUPAC name is 4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID135338301
Molecular FormulaC15H9Cl2FN4
Molecular Weight335.17 g/mol
Exact Mass334.02
IUPAC Name4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine
SMILESFc1ccc(-c2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)cc1
InChIInChI=1S/C15H9Cl2FN4/c16-13-20-14(17)22-15(21-13)19-12-7-3-10(4-8-12)9-1-5-11(18)6-2-9/h1-8H,(H,19,20,21,22)
InChIKeyDUROVTLUQOYUPH-UHFFFAOYSA-N
XLogP4.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine (CID 135338301) is 4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine is Fc1ccc(-c2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)cc1.
What is the InChIKey of 4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is DUROVTLUQOYUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN4/c16-13-20-14(17)22-15(21-13)19-12-7-3-10(4-8-12)9-1-5-11(18)6-2-9/h1-8H,(H,19,20,21,22).
What are the key properties of 4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 335.17 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 135338301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).