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

C9H5Cl2FN4 — CID 1074705

IUPAC4,6-dichloro-N-(3-fluorophenyl)-1,3,5-triazin-2-amine
SMILESFc1cccc(Nc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C9H5Cl2FN4/c10-7-14-8(11)16-9(15-7)13-6-3-1-2-5(12)4-6/h1-4H,(H,13,14,15,16)
InChIKeyQHEFGCVURJJVBE-UHFFFAOYSA-N
MW259.07 g/mol
LogP3.06
Rot. Bonds2

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

4,6-dichloro-N-(3-fluorophenyl)-1,3,5-triazin-2-amine (PubChem CID 1074705) has the molecular formula C9H5Cl2FN4 and a molecular weight of 259.07 g/mol. Its IUPAC name is 4,6-dichloro-N-(3-fluorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(3-fluorophenyl)-1,3,5-triazin-2-amine
PubChem CID1074705
Molecular FormulaC9H5Cl2FN4
Molecular Weight259.07 g/mol
Exact Mass257.99
IUPAC Name4,6-dichloro-N-(3-fluorophenyl)-1,3,5-triazin-2-amine
SMILESFc1cccc(Nc2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C9H5Cl2FN4/c10-7-14-8(11)16-9(15-7)13-6-3-1-2-5(12)4-6/h1-4H,(H,13,14,15,16)
InChIKeyQHEFGCVURJJVBE-UHFFFAOYSA-N
XLogP3.06
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.07
LogP ≤ 53.06
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-fluorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(3-fluorophenyl)-1,3,5-triazin-2-amine (CID 1074705) is 4,6-dichloro-N-(3-fluorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(3-fluorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(3-fluorophenyl)-1,3,5-triazin-2-amine is Fc1cccc(Nc2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of 4,6-dichloro-N-(3-fluorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is QHEFGCVURJJVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2FN4/c10-7-14-8(11)16-9(15-7)13-6-3-1-2-5(12)4-6/h1-4H,(H,13,14,15,16).
What are the key properties of 4,6-dichloro-N-(3-fluorophenyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(3-fluorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 259.07 g/mol, XLogP of 3.06, 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-fluorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 1074705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).