2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane

C11H11F3O3 — CID 171367695

IUPAC2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane
SMILESCOc1cccc(C(F)(F)F)c1C1OCCO1
InChIInChI=1S/C11H11F3O3/c1-15-8-4-2-3-7(11(12,13)14)9(8)10-16-5-6-17-10/h2-4,10H,5-6H2,1H3
InChIKeyVAQCFEFVUWFGJU-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.76
Rot. Bonds2

About 2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane

2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane (PubChem CID 171367695) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane
PubChem CID171367695
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane
SMILESCOc1cccc(C(F)(F)F)c1C1OCCO1
InChIInChI=1S/C11H11F3O3/c1-15-8-4-2-3-7(11(12,13)14)9(8)10-16-5-6-17-10/h2-4,10H,5-6H2,1H3
InChIKeyVAQCFEFVUWFGJU-UHFFFAOYSA-N
XLogP2.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 130785461
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
2-methoxy-6-(trifluoromethyl)benzenethiol
CID 18417566
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol
CID 170171124
1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84684450
2-(2,6-difluorophenyl)-1,3-dioxolane
CID 10511746
[2-(1,3-dioxan-2-yl)-6-methoxyphenyl] trifluoromethanesulfonate
CID 135016339
3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810049
2-isocyanato-1-methoxy-3-(trifluoromethyl)benzene
CID 170997128
ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene
CID 156843779

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane (CID 171367695) is 2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane is COc1cccc(C(F)(F)F)c1C1OCCO1.
What is the InChIKey of 2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane?
The InChIKey is VAQCFEFVUWFGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-15-8-4-2-3-7(11(12,13)14)9(8)10-16-5-6-17-10/h2-4,10H,5-6H2,1H3.
What are the key properties of 2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane?
2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane has a molecular weight of 248.20 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 171367695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).