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

C11H11F3O2 — CID 11521488

IUPAC2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane
SMILESCC1(c2cccc(C(F)(F)F)c2)OCCO1
InChIInChI=1S/C11H11F3O2/c1-10(15-5-6-16-10)8-3-2-4-9(7-8)11(12,13)14/h2-4,7H,5-6H2,1H3
InChIKeyHSJZBXCJVVBQRI-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.92
Rot. Bonds1

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

2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane (PubChem CID 11521488) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane
PubChem CID11521488
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane
SMILESCC1(c2cccc(C(F)(F)F)c2)OCCO1
InChIInChI=1S/C11H11F3O2/c1-10(15-5-6-16-10)8-3-2-4-9(7-8)11(12,13)14/h2-4,7H,5-6H2,1H3
InChIKeyHSJZBXCJVVBQRI-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzaldehyde propylene glycol acetal
CID 595928
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
4-Methylbenzaldehyde propyleneglycol acetal
CID 94001
2-Phenyl-1,3-dioxolane
CID 70293
Sdz 51641
CID 146329
1,3-Dioxolane-4-methanol, 2-methyl-2-phenyl-
CID 20371
2-Methyl-2-phenyl-1,3-dioxolane
CID 138006
4-Phenyl-1,3-dioxolane
CID 70634
1,4-Dioxaspiro[4.5]decane, 2-phenyl-
CID 97830
1,3-Dioxolane, 4,5-dimethyl-2-phenyl-
CID 221639
4-Phenyl-1,3-dioxolan-2-one
CID 234226

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane (CID 11521488) is 2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane is CC1(c2cccc(C(F)(F)F)c2)OCCO1.
What is the InChIKey of 2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane?
The InChIKey is HSJZBXCJVVBQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-10(15-5-6-16-10)8-3-2-4-9(7-8)11(12,13)14/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane?
2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane has a molecular weight of 232.20 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 11521488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).