3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine

C17H9F6N3O — CID 6415102

IUPAC3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine
SMILESFC(F)(F)c1cccc(Oc2nc(-c3ccccc3)nnc2C(F)(F)F)c1
InChIInChI=1S/C17H9F6N3O/c18-16(19,20)11-7-4-8-12(9-11)27-15-13(17(21,22)23)25-26-14(24-15)10-5-2-1-3-6-10/h1-9H
InChIKeyVVCKCUMUZCJUSY-UHFFFAOYSA-N
MW385.27 g/mol
LogP5.37
Rot. Bonds3

About 3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine

3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine (PubChem CID 6415102) has the molecular formula C17H9F6N3O and a molecular weight of 385.27 g/mol. Its IUPAC name is 3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine.

Molecular Properties

Compound Name3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine
PubChem CID6415102
Molecular FormulaC17H9F6N3O
Molecular Weight385.27 g/mol
Exact Mass385.06
IUPAC Name3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine
SMILESFC(F)(F)c1cccc(Oc2nc(-c3ccccc3)nnc2C(F)(F)F)c1
InChIInChI=1S/C17H9F6N3O/c18-16(19,20)11-7-4-8-12(9-11)27-15-13(17(21,22)23)25-26-14(24-15)10-5-2-1-3-6-10/h1-9H
InChIKeyVVCKCUMUZCJUSY-UHFFFAOYSA-N
XLogP5.37
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.27
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenoxy)-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine
CID 6411594
ethyl 2-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxylate
CID 1474616
3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 57090864
3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile
CID 80510221
2-phenoxy-3-[3-(trifluoromethyl)phenyl]quinoline
CID 2765458
1-benzyl-4-[3-(trifluoromethyl)phenoxy]phthalazine
CID 6404481
ethyl 5-cyano-2-phenyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 2769127
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 81446828
3-[[3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide
CID 11122714
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593
3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 6930221
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine?
The IUPAC name of 3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine (CID 6415102) is 3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine.
What is the SMILES notation for 3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine?
The canonical SMILES for 3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine is FC(F)(F)c1cccc(Oc2nc(-c3ccccc3)nnc2C(F)(F)F)c1.
What is the InChIKey of 3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine?
The InChIKey is VVCKCUMUZCJUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F6N3O/c18-16(19,20)11-7-4-8-12(9-11)27-15-13(17(21,22)23)25-26-14(24-15)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine?
3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine has a molecular weight of 385.27 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine is sourced from PubChem (CID 6415102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).