4-chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine

C9H5Cl2FN4O — CID 80865254

IUPAC4-chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C9H5Cl2FN4O/c10-5-3-4(12)1-2-6(5)17-9-15-7(11)14-8(13)16-9/h1-3H,(H2,13,14,15,16)
InChIKeyCBRUWKPQWKNRFP-UHFFFAOYSA-N
MW275.07 g/mol
LogP2.69
Rot. Bonds2

About 4-chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine

4-chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine (PubChem CID 80865254) has the molecular formula C9H5Cl2FN4O and a molecular weight of 275.07 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine
PubChem CID80865254
Molecular FormulaC9H5Cl2FN4O
Molecular Weight275.07 g/mol
Exact Mass273.98
IUPAC Name4-chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C9H5Cl2FN4O/c10-5-3-4(12)1-2-6(5)17-9-15-7(11)14-8(13)16-9/h1-3H,(H2,13,14,15,16)
InChIKeyCBRUWKPQWKNRFP-UHFFFAOYSA-N
XLogP2.69
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.07
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine (CID 80865254) is 4-chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(Oc2ccc(F)cc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine?
The InChIKey is CBRUWKPQWKNRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2FN4O/c10-5-3-4(12)1-2-6(5)17-9-15-7(11)14-8(13)16-9/h1-3H,(H2,13,14,15,16).
What are the key properties of 4-chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine?
4-chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine has a molecular weight of 275.07 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80865254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).