2-methyl-2-[2-(trifluoromethyltellanyl)phenyl]-1,3-dioxolane

C11H11F3O2Te — CID 138973577

IUPAC2-methyl-2-[2-(trifluoromethyltellanyl)phenyl]-1,3-dioxolane
SMILESCC1(c2ccccc2[Te]C(F)(F)F)OCCO1
InChIInChI=1S/C11H11F3O2Te/c1-10(15-6-7-16-10)8-4-2-3-5-9(8)17-11(12,13)14/h2-5H,6-7H2,1H3
InChIKeyYCYIPHHFGOVNLQ-UHFFFAOYSA-N
MW359.80 g/mol
LogP1.76
Rot. Bonds2

About 2-methyl-2-[2-(trifluoromethyltellanyl)phenyl]-1,3-dioxolane

2-methyl-2-[2-(trifluoromethyltellanyl)phenyl]-1,3-dioxolane (PubChem CID 138973577) has the molecular formula C11H11F3O2Te and a molecular weight of 359.80 g/mol. Its IUPAC name is 2-methyl-2-[2-(trifluoromethyltellanyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[2-(trifluoromethyltellanyl)phenyl]-1,3-dioxolane
PubChem CID138973577
Molecular FormulaC11H11F3O2Te
Molecular Weight359.80 g/mol
Exact Mass361.98
IUPAC Name2-methyl-2-[2-(trifluoromethyltellanyl)phenyl]-1,3-dioxolane
SMILESCC1(c2ccccc2[Te]C(F)(F)F)OCCO1
InChIInChI=1S/C11H11F3O2Te/c1-10(15-6-7-16-10)8-4-2-3-5-9(8)17-11(12,13)14/h2-5H,6-7H2,1H3
InChIKeyYCYIPHHFGOVNLQ-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.80
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(trifluoromethyltellanyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[2-(trifluoromethyltellanyl)phenyl]-1,3-dioxolane (CID 138973577) is 2-methyl-2-[2-(trifluoromethyltellanyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[2-(trifluoromethyltellanyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[2-(trifluoromethyltellanyl)phenyl]-1,3-dioxolane is CC1(c2ccccc2[Te]C(F)(F)F)OCCO1.
What is the InChIKey of 2-methyl-2-[2-(trifluoromethyltellanyl)phenyl]-1,3-dioxolane?
The InChIKey is YCYIPHHFGOVNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2Te/c1-10(15-6-7-16-10)8-4-2-3-5-9(8)17-11(12,13)14/h2-5H,6-7H2,1H3.
What are the key properties of 2-methyl-2-[2-(trifluoromethyltellanyl)phenyl]-1,3-dioxolane?
2-methyl-2-[2-(trifluoromethyltellanyl)phenyl]-1,3-dioxolane has a molecular weight of 359.80 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(trifluoromethyltellanyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 138973577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).