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

C10H8ClFN4O2 — CID 80867191

IUPAC4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C10H8ClFN4O2/c1-17-9-14-8(13)15-10(16-9)18-7-3-2-5(12)4-6(7)11/h2-4H,1H3,(H2,13,14,15,16)
InChIKeyNPEDRYZPPSFFLP-UHFFFAOYSA-N
MW270.65 g/mol
LogP2.05
Rot. Bonds3

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

4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80867191) has the molecular formula C10H8ClFN4O2 and a molecular weight of 270.65 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80867191
Molecular FormulaC10H8ClFN4O2
Molecular Weight270.65 g/mol
Exact Mass270.03
IUPAC Name4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C10H8ClFN4O2/c1-17-9-14-8(13)15-10(16-9)18-7-3-2-5(12)4-6(7)11/h2-4H,1H3,(H2,13,14,15,16)
InChIKeyNPEDRYZPPSFFLP-UHFFFAOYSA-N
XLogP2.05
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.65
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine (CID 80867191) is 4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(Oc2ccc(F)cc2Cl)n1.
What is the InChIKey of 4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is NPEDRYZPPSFFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O2/c1-17-9-14-8(13)15-10(16-9)18-7-3-2-5(12)4-6(7)11/h2-4H,1H3,(H2,13,14,15,16).
What are the key properties of 4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine?
4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 270.65 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80867191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).