4,6-dichloro-N-(3-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine

C9H4Cl3FN4 — CID 62859591

IUPAC4,6-dichloro-N-(3-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1Cl
InChIInChI=1S/C9H4Cl3FN4/c10-5-3-4(1-2-6(5)13)14-9-16-7(11)15-8(12)17-9/h1-3H,(H,14,15,16,17)
InChIKeyNIUJLRNDNGJQIV-UHFFFAOYSA-N
MW293.52 g/mol
LogP3.71
Rot. Bonds2

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

4,6-dichloro-N-(3-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine (PubChem CID 62859591) has the molecular formula C9H4Cl3FN4 and a molecular weight of 293.52 g/mol. Its IUPAC name is 4,6-dichloro-N-(3-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(3-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine
PubChem CID62859591
Molecular FormulaC9H4Cl3FN4
Molecular Weight293.52 g/mol
Exact Mass291.95
IUPAC Name4,6-dichloro-N-(3-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1Cl
InChIInChI=1S/C9H4Cl3FN4/c10-5-3-4(1-2-6(5)13)14-9-16-7(11)15-8(12)17-9/h1-3H,(H,14,15,16,17)
InChIKeyNIUJLRNDNGJQIV-UHFFFAOYSA-N
XLogP3.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.52
LogP ≤ 53.71
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-(3-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(3-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine (CID 62859591) is 4,6-dichloro-N-(3-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(3-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(3-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine is Fc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1Cl.
What is the InChIKey of 4,6-dichloro-N-(3-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is NIUJLRNDNGJQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3FN4/c10-5-3-4(1-2-6(5)13)14-9-16-7(11)15-8(12)17-9/h1-3H,(H,14,15,16,17).
What are the key properties of 4,6-dichloro-N-(3-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(3-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 293.52 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(3-chloro-4-fluorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62859591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).