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

C12H10Cl2FN3O2 — CID 62868762

IUPAC2-chloro-4-(2-chloro-4-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H10Cl2FN3O2/c1-6(2)19-11-16-10(14)17-12(18-11)20-9-4-3-7(15)5-8(9)13/h3-6H,1-2H3
InChIKeyPWTCJDCBSBDYIF-UHFFFAOYSA-N
MW318.14 g/mol
LogP3.90
Rot. Bonds4

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

2-chloro-4-(2-chloro-4-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 62868762) has the molecular formula C12H10Cl2FN3O2 and a molecular weight of 318.14 g/mol. Its IUPAC name is 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-chloro-4-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazine
PubChem CID62868762
Molecular FormulaC12H10Cl2FN3O2
Molecular Weight318.14 g/mol
Exact Mass317.01
IUPAC Name2-chloro-4-(2-chloro-4-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H10Cl2FN3O2/c1-6(2)19-11-16-10(14)17-12(18-11)20-9-4-3-7(15)5-8(9)13/h3-6H,1-2H3
InChIKeyPWTCJDCBSBDYIF-UHFFFAOYSA-N
XLogP3.90
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 53.90
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-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazine (CID 62868762) is 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazine is CC(C)Oc1nc(Cl)nc(Oc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is PWTCJDCBSBDYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3O2/c1-6(2)19-11-16-10(14)17-12(18-11)20-9-4-3-7(15)5-8(9)13/h3-6H,1-2H3.
What are the key properties of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(2-chloro-4-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 318.14 g/mol, XLogP of 3.90, 4 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-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 62868762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).