methyl 2-[2-(trifluoromethyl)phenoxy]acetate

C10H9F3O3 — CID 28880437

IUPACmethyl 2-[2-(trifluoromethyl)phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3O3/c1-15-9(14)6-16-8-5-3-2-4-7(8)10(11,12)13/h2-5H,6H2,1H3
InChIKeyHFBZMRWMIBCZKC-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.26
Rot. Bonds3

About methyl 2-[2-(trifluoromethyl)phenoxy]acetate

methyl 2-[2-(trifluoromethyl)phenoxy]acetate (PubChem CID 28880437) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is methyl 2-[2-(trifluoromethyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(trifluoromethyl)phenoxy]acetate
PubChem CID28880437
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Namemethyl 2-[2-(trifluoromethyl)phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3O3/c1-15-9(14)6-16-8-5-3-2-4-7(8)10(11,12)13/h2-5H,6H2,1H3
InChIKeyHFBZMRWMIBCZKC-UHFFFAOYSA-N
XLogP2.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(trifluoromethyl)phenoxy]acetate?
The IUPAC name of methyl 2-[2-(trifluoromethyl)phenoxy]acetate (CID 28880437) is methyl 2-[2-(trifluoromethyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-(trifluoromethyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[2-(trifluoromethyl)phenoxy]acetate is COC(=O)COc1ccccc1C(F)(F)F.
What is the InChIKey of methyl 2-[2-(trifluoromethyl)phenoxy]acetate?
The InChIKey is HFBZMRWMIBCZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-15-9(14)6-16-8-5-3-2-4-7(8)10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of methyl 2-[2-(trifluoromethyl)phenoxy]acetate?
methyl 2-[2-(trifluoromethyl)phenoxy]acetate has a molecular weight of 234.17 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(trifluoromethyl)phenoxy]acetate is sourced from PubChem (CID 28880437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).