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

C11H9ClF2N4O — CID 55124475

IUPAC4-chloro-6-(2,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Oc2ccc(F)cc2F)n1
InChIInChI=1S/C11H9ClF2N4O/c1-18(2)10-15-9(12)16-11(17-10)19-8-4-3-6(13)5-7(8)14/h3-5H,1-2H3
InChIKeyMOSYRCUZGZCGLW-UHFFFAOYSA-N
MW286.67 g/mol
LogP2.66
Rot. Bonds3

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

4-chloro-6-(2,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 55124475) has the molecular formula C11H9ClF2N4O and a molecular weight of 286.67 g/mol. Its IUPAC name is 4-chloro-6-(2,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID55124475
Molecular FormulaC11H9ClF2N4O
Molecular Weight286.67 g/mol
Exact Mass286.04
IUPAC Name4-chloro-6-(2,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(Oc2ccc(F)cc2F)n1
InChIInChI=1S/C11H9ClF2N4O/c1-18(2)10-15-9(12)16-11(17-10)19-8-4-3-6(13)5-7(8)14/h3-5H,1-2H3
InChIKeyMOSYRCUZGZCGLW-UHFFFAOYSA-N
XLogP2.66
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine (CID 55124475) is 4-chloro-6-(2,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(Oc2ccc(F)cc2F)n1.
What is the InChIKey of 4-chloro-6-(2,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is MOSYRCUZGZCGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N4O/c1-18(2)10-15-9(12)16-11(17-10)19-8-4-3-6(13)5-7(8)14/h3-5H,1-2H3.
What are the key properties of 4-chloro-6-(2,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(2,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 286.67 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-difluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).