2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane

C13H15F3O3 — CID 83949742

IUPAC2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane
SMILESCCOc1ccc(C(F)(F)F)cc1C1(C)OCCO1
InChIInChI=1S/C13H15F3O3/c1-3-17-11-5-4-9(13(14,15)16)8-10(11)12(2)18-6-7-19-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyJNPUWSMVFCIXTR-UHFFFAOYSA-N
MW276.25 g/mol
LogP3.32
Rot. Bonds3

About 2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane

2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane (PubChem CID 83949742) has the molecular formula C13H15F3O3 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane
PubChem CID83949742
Molecular FormulaC13H15F3O3
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Name2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane
SMILESCCOc1ccc(C(F)(F)F)cc1C1(C)OCCO1
InChIInChI=1S/C13H15F3O3/c1-3-17-11-5-4-9(13(14,15)16)8-10(11)12(2)18-6-7-19-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyJNPUWSMVFCIXTR-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane
CID 83959424
2-[2-(3-methoxypropoxy)-4-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane
CID 161308899
2-(5-tert-butyl-2-ethoxyphenyl)-2-ethyl-1,3-dioxolane
CID 83958354
2-[(2S,4S)-2-ethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)-4-(trifluoromethyl)phenoxy]piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 88989510
2-(4-ethoxy-2,3-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958916
1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 170999647
1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 82262869
2-ethyl-2-[2-methoxy-4-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 83949783
2-ethoxy-1-iodo-4-(trifluoromethyl)benzene
CID 164892007
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene
CID 164892008

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane (CID 83949742) is 2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane is CCOc1ccc(C(F)(F)F)cc1C1(C)OCCO1.
What is the InChIKey of 2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane?
The InChIKey is JNPUWSMVFCIXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O3/c1-3-17-11-5-4-9(13(14,15)16)8-10(11)12(2)18-6-7-19-12/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane?
2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane has a molecular weight of 276.25 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 83949742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).