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

C11H9Cl2FN4O — CID 63877958

IUPAC4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H9Cl2FN4O/c1-18(2)10-15-9(13)16-11(17-10)19-6-3-4-8(14)7(12)5-6/h3-5H,1-2H3
InChIKeyKDHXHUQBWFSWLJ-UHFFFAOYSA-N
MW303.12 g/mol
LogP3.18
Rot. Bonds3

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

4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 63877958) has the molecular formula C11H9Cl2FN4O and a molecular weight of 303.12 g/mol. Its IUPAC name is 4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID63877958
Molecular FormulaC11H9Cl2FN4O
Molecular Weight303.12 g/mol
Exact Mass302.01
IUPAC Name4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H9Cl2FN4O/c1-18(2)10-15-9(13)16-11(17-10)19-6-3-4-8(14)7(12)5-6/h3-5H,1-2H3
InChIKeyKDHXHUQBWFSWLJ-UHFFFAOYSA-N
XLogP3.18
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine (CID 63877958) is 4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(Oc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is KDHXHUQBWFSWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN4O/c1-18(2)10-15-9(13)16-11(17-10)19-6-3-4-8(14)7(12)5-6/h3-5H,1-2H3.
What are the key properties of 4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 303.12 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63877958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).