2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane

C13H15F3O3 — CID 78066178

IUPAC2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane
SMILESCC1(C)OCC(COc2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C13H15F3O3/c1-12(2)18-8-11(19-12)7-17-10-5-3-4-9(6-10)13(14,15)16/h3-6,11H,7-8H2,1-2H3
InChIKeyHYVKBCSZQVTVDH-UHFFFAOYSA-N
MW276.25 g/mol
LogP3.24
Rot. Bonds3

About 2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane

2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane (PubChem CID 78066178) has the molecular formula C13H15F3O3 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane
PubChem CID78066178
Molecular FormulaC13H15F3O3
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Name2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane
SMILESCC1(C)OCC(COc2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C13H15F3O3/c1-12(2)18-8-11(19-12)7-17-10-5-3-4-9(6-10)13(14,15)16/h3-6,11H,7-8H2,1-2H3
InChIKeyHYVKBCSZQVTVDH-UHFFFAOYSA-N
XLogP3.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane (CID 78066178) is 2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane is CC1(C)OCC(COc2cccc(C(F)(F)F)c2)O1.
What is the InChIKey of 2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane?
The InChIKey is HYVKBCSZQVTVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O3/c1-12(2)18-8-11(19-12)7-17-10-5-3-4-9(6-10)13(14,15)16/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane?
2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane has a molecular weight of 276.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane is sourced from PubChem (CID 78066178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).