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1-(methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione

C18H14F3N3O4 — CID 139603427

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione
SMILESCOCn1c(-c2ccccc2)nc(=O)n(-c2ccc(OC(F)(F)F)cc2)c1=O
InChIInChI=1S/C18H14F3N3O4/c1-27-11-23-15(12-5-3-2-4-6-12)22-16(25)24(17(23)26)13-7-9-14(10-8-13)28-18(19,20)21/h2-10H,11H2,1H3
InChIKeyYPRCSMVWJGLNGU-UHFFFAOYSA-N
MW393.32 g/mol
LogP2.56
Rot. Bonds5

About 1-(methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione

1-(methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione (PubChem CID 139603427) has the molecular formula C18H14F3N3O4 and a molecular weight of 393.32 g/mol. Its IUPAC name is 1-(methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name1-(methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione
PubChem CID139603427
Molecular FormulaC18H14F3N3O4
Molecular Weight393.32 g/mol
Exact Mass393.09
IUPAC Name1-(methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione
SMILESCOCn1c(-c2ccccc2)nc(=O)n(-c2ccc(OC(F)(F)F)cc2)c1=O
InChIInChI=1S/C18H14F3N3O4/c1-27-11-23-15(12-5-3-2-4-6-12)22-16(25)24(17(23)26)13-7-9-14(10-8-13)28-18(19,20)21/h2-10H,11H2,1H3
InChIKeyYPRCSMVWJGLNGU-UHFFFAOYSA-N
XLogP2.56
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione?
The IUPAC name of 1-(methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione (CID 139603427) is 1-(methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 1-(methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione?
The canonical SMILES for 1-(methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione is COCn1c(-c2ccccc2)nc(=O)n(-c2ccc(OC(F)(F)F)cc2)c1=O.
What is the InChIKey of 1-(methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione?
The InChIKey is YPRCSMVWJGLNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O4/c1-27-11-23-15(12-5-3-2-4-6-12)22-16(25)24(17(23)26)13-7-9-14(10-8-13)28-18(19,20)21/h2-10H,11H2,1H3.
What are the key properties of 1-(methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione?
1-(methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione has a molecular weight of 393.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 139603427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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