(3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane

C10H9F3O3 — CID 102063010

IUPAC(3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane
SMILESC[C@H]1OO[C@@](c2ccccc2)(C(F)(F)F)O1
InChIInChI=1S/C10H9F3O3/c1-7-14-9(16-15-7,10(11,12)13)8-5-3-2-4-6-8/h2-7H,1H3/t7-,9+/m1/s1
InChIKeyYVQQZNXLTLGMGJ-APPZFPTMSA-N
MW234.17 g/mol
LogP2.73
Rot. Bonds1

About (3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane

(3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane (PubChem CID 102063010) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is (3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane.

Molecular Properties

Compound Name(3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane
PubChem CID102063010
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name(3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane
SMILESC[C@H]1OO[C@@](c2ccccc2)(C(F)(F)F)O1
InChIInChI=1S/C10H9F3O3/c1-7-14-9(16-15-7,10(11,12)13)8-5-3-2-4-6-8/h2-7H,1H3/t7-,9+/m1/s1
InChIKeyYVQQZNXLTLGMGJ-APPZFPTMSA-N
XLogP2.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane?
The IUPAC name of (3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane (CID 102063010) is (3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane.
What is the SMILES notation for (3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane?
The canonical SMILES for (3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane is C[C@H]1OO[C@@](c2ccccc2)(C(F)(F)F)O1.
What is the InChIKey of (3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane?
The InChIKey is YVQQZNXLTLGMGJ-APPZFPTMSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-7-14-9(16-15-7,10(11,12)13)8-5-3-2-4-6-8/h2-7H,1H3/t7-,9+/m1/s1.
What are the key properties of (3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane?
(3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane has a molecular weight of 234.17 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-methyl-3-phenyl-3-(trifluoromethyl)-1,2,4-trioxolane is sourced from PubChem (CID 102063010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).