3,6-bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane

C16H10F6O4 — CID 10691170

IUPAC3,6-bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane
SMILESFC(F)(F)c1ccccc1C1OOC(c2ccccc2C(F)(F)F)OO1
InChIInChI=1S/C16H10F6O4/c17-15(18,19)11-7-3-1-5-9(11)13-23-25-14(26-24-13)10-6-2-4-8-12(10)16(20,21)22/h1-8,13-14H
InChIKeyOUFFYSVTDOEUGO-UHFFFAOYSA-N
MW380.24 g/mol
LogP5.33
Rot. Bonds2

About 3,6-bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane

3,6-bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane (PubChem CID 10691170) has the molecular formula C16H10F6O4 and a molecular weight of 380.24 g/mol. Its IUPAC name is 3,6-bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3,6-bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane
PubChem CID10691170
Molecular FormulaC16H10F6O4
Molecular Weight380.24 g/mol
Exact Mass380.05
IUPAC Name3,6-bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane
SMILESFC(F)(F)c1ccccc1C1OOC(c2ccccc2C(F)(F)F)OO1
InChIInChI=1S/C16H10F6O4/c17-15(18,19)11-7-3-1-5-9(11)13-23-25-14(26-24-13)10-6-2-4-8-12(10)16(20,21)22/h1-8,13-14H
InChIKeyOUFFYSVTDOEUGO-UHFFFAOYSA-N
XLogP5.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.24
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane?
The IUPAC name of 3,6-bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane (CID 10691170) is 3,6-bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane.
What is the SMILES notation for 3,6-bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane?
The canonical SMILES for 3,6-bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane is FC(F)(F)c1ccccc1C1OOC(c2ccccc2C(F)(F)F)OO1.
What is the InChIKey of 3,6-bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane?
The InChIKey is OUFFYSVTDOEUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O4/c17-15(18,19)11-7-3-1-5-9(11)13-23-25-14(26-24-13)10-6-2-4-8-12(10)16(20,21)22/h1-8,13-14H.
What are the key properties of 3,6-bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane?
3,6-bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane has a molecular weight of 380.24 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[2-(trifluoromethyl)phenyl]-1,2,4,5-tetraoxane is sourced from PubChem (CID 10691170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).