2-(4-methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine

C12H7F6N3O — CID 3770619

IUPAC2-(4-methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine
SMILESCOc1ccc(-c2nc(C(F)(F)F)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H7F6N3O/c1-22-7-4-2-6(3-5-7)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18/h2-5H,1H3
InChIKeySDVPJPUKVNEPOH-UHFFFAOYSA-N
MW323.20 g/mol
LogP3.58
Rot. Bonds2

About 2-(4-methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine

2-(4-methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine (PubChem CID 3770619) has the molecular formula C12H7F6N3O and a molecular weight of 323.20 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine
PubChem CID3770619
Molecular FormulaC12H7F6N3O
Molecular Weight323.20 g/mol
Exact Mass323.05
IUPAC Name2-(4-methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine
SMILESCOc1ccc(-c2nc(C(F)(F)F)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H7F6N3O/c1-22-7-4-2-6(3-5-7)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18/h2-5H,1H3
InChIKeySDVPJPUKVNEPOH-UHFFFAOYSA-N
XLogP3.58
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine?
The IUPAC name of 2-(4-methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine (CID 3770619) is 2-(4-methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine is COc1ccc(-c2nc(C(F)(F)F)nc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine?
The InChIKey is SDVPJPUKVNEPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6N3O/c1-22-7-4-2-6(3-5-7)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18/h2-5H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine?
2-(4-methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine has a molecular weight of 323.20 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4,6-bis(trifluoromethyl)-1,3,5-triazine is sourced from PubChem (CID 3770619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).