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

C11H10ClFN4O — CID 62868283

IUPAC4-chloro-6-(3-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Oc2cccc(F)c2)n1
InChIInChI=1S/C11H10ClFN4O/c1-17(2)10-14-9(12)15-11(16-10)18-8-5-3-4-7(13)6-8/h3-6H,1-2H3
InChIKeyFAAOUQXSAFBJHV-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.52
Rot. Bonds3

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

4-chloro-6-(3-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 62868283) has the molecular formula C11H10ClFN4O and a molecular weight of 268.68 g/mol. Its IUPAC name is 4-chloro-6-(3-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID62868283
Molecular FormulaC11H10ClFN4O
Molecular Weight268.68 g/mol
Exact Mass268.05
IUPAC Name4-chloro-6-(3-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Oc2cccc(F)c2)n1
InChIInChI=1S/C11H10ClFN4O/c1-17(2)10-14-9(12)15-11(16-10)18-8-5-3-4-7(13)6-8/h3-6H,1-2H3
InChIKeyFAAOUQXSAFBJHV-UHFFFAOYSA-N
XLogP2.52
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.52
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-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine (CID 62868283) is 4-chloro-6-(3-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(Oc2cccc(F)c2)n1.
What is the InChIKey of 4-chloro-6-(3-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is FAAOUQXSAFBJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O/c1-17(2)10-14-9(12)15-11(16-10)18-8-5-3-4-7(13)6-8/h3-6H,1-2H3.
What are the key properties of 4-chloro-6-(3-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(3-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 268.68 g/mol, XLogP of 2.52, 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-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).