methyl 2-(2,6-difluoro-3-methylphenoxy)acetate

C10H10F2O3 — CID 146259650

IUPACmethyl 2-(2,6-difluoro-3-methylphenoxy)acetate
SMILESCOC(=O)COc1c(F)ccc(C)c1F
InChIInChI=1S/C10H10F2O3/c1-6-3-4-7(11)10(9(6)12)15-5-8(13)14-2/h3-4H,5H2,1-2H3
InChIKeyWHGZACQIFXSRDQ-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.83
Rot. Bonds3

About methyl 2-(2,6-difluoro-3-methylphenoxy)acetate

methyl 2-(2,6-difluoro-3-methylphenoxy)acetate (PubChem CID 146259650) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is methyl 2-(2,6-difluoro-3-methylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2,6-difluoro-3-methylphenoxy)acetate
PubChem CID146259650
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Namemethyl 2-(2,6-difluoro-3-methylphenoxy)acetate
SMILESCOC(=O)COc1c(F)ccc(C)c1F
InChIInChI=1S/C10H10F2O3/c1-6-3-4-7(11)10(9(6)12)15-5-8(13)14-2/h3-4H,5H2,1-2H3
InChIKeyWHGZACQIFXSRDQ-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,6-difluoro-3-methylanilino)acetate
CID 82818418
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
CID 112609552
methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
CID 112610729
methyl 2-(2,6-difluoro-4-formylphenoxy)acetate
CID 79891826
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
CID 130870256
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631644
methyl 2-(2-fluoro-5-formylphenoxy)acetate
CID 168890908

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-difluoro-3-methylphenoxy)acetate?
The IUPAC name of methyl 2-(2,6-difluoro-3-methylphenoxy)acetate (CID 146259650) is methyl 2-(2,6-difluoro-3-methylphenoxy)acetate.
What is the SMILES notation for methyl 2-(2,6-difluoro-3-methylphenoxy)acetate?
The canonical SMILES for methyl 2-(2,6-difluoro-3-methylphenoxy)acetate is COC(=O)COc1c(F)ccc(C)c1F.
What is the InChIKey of methyl 2-(2,6-difluoro-3-methylphenoxy)acetate?
The InChIKey is WHGZACQIFXSRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-6-3-4-7(11)10(9(6)12)15-5-8(13)14-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(2,6-difluoro-3-methylphenoxy)acetate?
methyl 2-(2,6-difluoro-3-methylphenoxy)acetate has a molecular weight of 216.18 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-difluoro-3-methylphenoxy)acetate is sourced from PubChem (CID 146259650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).