3-methoxy-5-[2-(trifluoromethyl)phenyl]-1,2,4-trioxolane

C10H9F3O4 — CID 14783523

IUPAC3-methoxy-5-[2-(trifluoromethyl)phenyl]-1,2,4-trioxolane
SMILESCOC1OOC(c2ccccc2C(F)(F)F)O1
InChIInChI=1S/C10H9F3O4/c1-14-9-15-8(16-17-9)6-4-2-3-5-7(6)10(11,12)13/h2-5,8-9H,1H3
InChIKeyDWWFICDBODWECU-UHFFFAOYSA-N
MW250.17 g/mol
LogP2.61
Rot. Bonds2

About 3-methoxy-5-[2-(trifluoromethyl)phenyl]-1,2,4-trioxolane

3-methoxy-5-[2-(trifluoromethyl)phenyl]-1,2,4-trioxolane (PubChem CID 14783523) has the molecular formula C10H9F3O4 and a molecular weight of 250.17 g/mol. Its IUPAC name is 3-methoxy-5-[2-(trifluoromethyl)phenyl]-1,2,4-trioxolane.

Molecular Properties

Compound Name3-methoxy-5-[2-(trifluoromethyl)phenyl]-1,2,4-trioxolane
PubChem CID14783523
Molecular FormulaC10H9F3O4
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Name3-methoxy-5-[2-(trifluoromethyl)phenyl]-1,2,4-trioxolane
SMILESCOC1OOC(c2ccccc2C(F)(F)F)O1
InChIInChI=1S/C10H9F3O4/c1-14-9-15-8(16-17-9)6-4-2-3-5-7(6)10(11,12)13/h2-5,8-9H,1H3
InChIKeyDWWFICDBODWECU-UHFFFAOYSA-N
XLogP2.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzaldehyde dimethyl acetal
CID 62375
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
2-Phenyl-1,3-dioxolane
CID 70293
1,3-Dimethoxyphthalan
CID 11629690
1-(Dimethoxymethyl)-2-fluorobenzene
CID 11426732
2-Methylbenzyl alcohol, trifluoroacetate
CID 2753147
1-(Dimethoxymethyl)-2-methylbenzene
CID 13294514
1,2-Bis(dimethoxymethyl)benzene
CID 13587680
1-(Diethoxymethyl)-2-methylbenzene
CID 221907
5h,9h-6,8-Dioxa-benzocycloheptene
CID 12858227
Acetic acid, (2-(trifluoromethyl)phenyl)methyl ester
CID 20767653
Formic acid, (2-(trifluoromethyl)phenyl)methyl ester
CID 87333524

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[2-(trifluoromethyl)phenyl]-1,2,4-trioxolane?
The IUPAC name of 3-methoxy-5-[2-(trifluoromethyl)phenyl]-1,2,4-trioxolane (CID 14783523) is 3-methoxy-5-[2-(trifluoromethyl)phenyl]-1,2,4-trioxolane.
What is the SMILES notation for 3-methoxy-5-[2-(trifluoromethyl)phenyl]-1,2,4-trioxolane?
The canonical SMILES for 3-methoxy-5-[2-(trifluoromethyl)phenyl]-1,2,4-trioxolane is COC1OOC(c2ccccc2C(F)(F)F)O1.
What is the InChIKey of 3-methoxy-5-[2-(trifluoromethyl)phenyl]-1,2,4-trioxolane?
The InChIKey is DWWFICDBODWECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O4/c1-14-9-15-8(16-17-9)6-4-2-3-5-7(6)10(11,12)13/h2-5,8-9H,1H3.
What are the key properties of 3-methoxy-5-[2-(trifluoromethyl)phenyl]-1,2,4-trioxolane?
3-methoxy-5-[2-(trifluoromethyl)phenyl]-1,2,4-trioxolane has a molecular weight of 250.17 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[2-(trifluoromethyl)phenyl]-1,2,4-trioxolane is sourced from PubChem (CID 14783523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).