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

C11H9BrClFN4O — CID 62869791

IUPAC4-(2-bromo-4-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C11H9BrClFN4O/c1-18(2)10-15-9(13)16-11(17-10)19-8-4-3-6(14)5-7(8)12/h3-5H,1-2H3
InChIKeyGGIHVWZYNWPFBC-UHFFFAOYSA-N
MW347.58 g/mol
LogP3.28
Rot. Bonds3

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

4-(2-bromo-4-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 62869791) has the molecular formula C11H9BrClFN4O and a molecular weight of 347.58 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID62869791
Molecular FormulaC11H9BrClFN4O
Molecular Weight347.58 g/mol
Exact Mass345.96
IUPAC Name4-(2-bromo-4-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C11H9BrClFN4O/c1-18(2)10-15-9(13)16-11(17-10)19-8-4-3-6(14)5-7(8)12/h3-5H,1-2H3
InChIKeyGGIHVWZYNWPFBC-UHFFFAOYSA-N
XLogP3.28
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.58
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-bromo-4-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (CID 62869791) is 4-(2-bromo-4-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-bromo-4-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-bromo-4-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(Oc2ccc(F)cc2Br)n1.
What is the InChIKey of 4-(2-bromo-4-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is GGIHVWZYNWPFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClFN4O/c1-18(2)10-15-9(13)16-11(17-10)19-8-4-3-6(14)5-7(8)12/h3-5H,1-2H3.
What are the key properties of 4-(2-bromo-4-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(2-bromo-4-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 347.58 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).