[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate

C15H11F6N3O5 — CID 53342809

IUPAC[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2nc(OCC(F)(F)F)nc(OCC(F)(F)F)n2)cc1
InChIInChI=1S/C15H11F6N3O5/c1-26-9-4-2-8(3-5-9)10(25)29-13-23-11(27-6-14(16,17)18)22-12(24-13)28-7-15(19,20)21/h2-5H,6-7H2,1H3
InChIKeyWEQRGNCCOYEQSX-UHFFFAOYSA-N
MW427.26 g/mol
LogP2.98
Rot. Bonds7

About [4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate

[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate (PubChem CID 53342809) has the molecular formula C15H11F6N3O5 and a molecular weight of 427.26 g/mol. Its IUPAC name is [4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate
PubChem CID53342809
Molecular FormulaC15H11F6N3O5
Molecular Weight427.26 g/mol
Exact Mass427.06
IUPAC Name[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2nc(OCC(F)(F)F)nc(OCC(F)(F)F)n2)cc1
InChIInChI=1S/C15H11F6N3O5/c1-26-9-4-2-8(3-5-9)10(25)29-13-23-11(27-6-14(16,17)18)22-12(24-13)28-7-15(19,20)21/h2-5H,6-7H2,1H3
InChIKeyWEQRGNCCOYEQSX-UHFFFAOYSA-N
XLogP2.98
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate?
The IUPAC name of [4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate (CID 53342809) is [4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate.
What is the SMILES notation for [4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate?
The canonical SMILES for [4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2nc(OCC(F)(F)F)nc(OCC(F)(F)F)n2)cc1.
What is the InChIKey of [4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate?
The InChIKey is WEQRGNCCOYEQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N3O5/c1-26-9-4-2-8(3-5-9)10(25)29-13-23-11(27-6-14(16,17)18)22-12(24-13)28-7-15(19,20)21/h2-5H,6-7H2,1H3.
What are the key properties of [4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate?
[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate has a molecular weight of 427.26 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate is sourced from PubChem (CID 53342809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).