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

C10H6Cl2FN3O2 — CID 62857140

IUPAC2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C10H6Cl2FN3O2/c1-17-9-14-8(12)15-10(16-9)18-7-3-2-5(13)4-6(7)11/h2-4H,1H3
InChIKeyQHXPREBVPHOETF-UHFFFAOYSA-N
MW290.08 g/mol
LogP3.12
Rot. Bonds3

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

2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazine (PubChem CID 62857140) has the molecular formula C10H6Cl2FN3O2 and a molecular weight of 290.08 g/mol. Its IUPAC name is 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazine
PubChem CID62857140
Molecular FormulaC10H6Cl2FN3O2
Molecular Weight290.08 g/mol
Exact Mass288.98
IUPAC Name2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C10H6Cl2FN3O2/c1-17-9-14-8(12)15-10(16-9)18-7-3-2-5(13)4-6(7)11/h2-4H,1H3
InChIKeyQHXPREBVPHOETF-UHFFFAOYSA-N
XLogP3.12
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.08
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazine (CID 62857140) is 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazine is COc1nc(Cl)nc(Oc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazine?
The InChIKey is QHXPREBVPHOETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3O2/c1-17-9-14-8(12)15-10(16-9)18-7-3-2-5(13)4-6(7)11/h2-4H,1H3.
What are the key properties of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazine?
2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazine has a molecular weight of 290.08 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 62857140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).