2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane

C14H17F3O3 — CID 167841226

IUPAC2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane
SMILESCc1ccc(C(F)(F)F)c(OCCC2COCCO2)c1
InChIInChI=1S/C14H17F3O3/c1-10-2-3-12(14(15,16)17)13(8-10)20-5-4-11-9-18-6-7-19-11/h2-3,8,11H,4-7,9H2,1H3
InChIKeyNCFVPHPHEAHXGM-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.20
Rot. Bonds4

About 2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane

2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane (PubChem CID 167841226) has the molecular formula C14H17F3O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane
PubChem CID167841226
Molecular FormulaC14H17F3O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane
SMILESCc1ccc(C(F)(F)F)c(OCCC2COCCO2)c1
InChIInChI=1S/C14H17F3O3/c1-10-2-3-12(14(15,16)17)13(8-10)20-5-4-11-9-18-6-7-19-11/h2-3,8,11H,4-7,9H2,1H3
InChIKeyNCFVPHPHEAHXGM-UHFFFAOYSA-N
XLogP3.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoroethyl)-4-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 90836380
2-[2-[4-(trifluoromethylsulfonyl)phenoxy]ethyl]-1,4-dioxane
CID 166266733
methyl 2-[4-[2-[(2R)-1,4-dioxan-2-yl]ethoxy]-2-fluorophenyl]acetate
CID 169157452
2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
CID 65161378
3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine
CID 107391583
[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]boronic acid
CID 65162445
1-tert-butyl-2-(2-chloroethoxy)-4-methylbenzene
CID 43135637
(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004695
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158929
N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158607
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164886
2-[[3-methoxy-4-methyl-5-[4-(2,2,2-trifluoroethoxy)phenyl]phenoxy]methyl]-1,4-dioxane
CID 164856629

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane?
The IUPAC name of 2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane (CID 167841226) is 2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane.
What is the SMILES notation for 2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane?
The canonical SMILES for 2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane is Cc1ccc(C(F)(F)F)c(OCCC2COCCO2)c1.
What is the InChIKey of 2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane?
The InChIKey is NCFVPHPHEAHXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O3/c1-10-2-3-12(14(15,16)17)13(8-10)20-5-4-11-9-18-6-7-19-11/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane?
2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane has a molecular weight of 290.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-methyl-2-(trifluoromethyl)phenoxy]ethyl]-1,4-dioxane is sourced from PubChem (CID 167841226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).