methyl 2-(2,3-difluorophenoxy)acetate

C9H8F2O3 — CID 63037600

IUPACmethyl 2-(2,3-difluorophenoxy)acetate
SMILESCOC(=O)COc1cccc(F)c1F
InChIInChI=1S/C9H8F2O3/c1-13-8(12)5-14-7-4-2-3-6(10)9(7)11/h2-4H,5H2,1H3
InChIKeyNZMFMJNHKKGSJK-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.52
Rot. Bonds3

About methyl 2-(2,3-difluorophenoxy)acetate

methyl 2-(2,3-difluorophenoxy)acetate (PubChem CID 63037600) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is methyl 2-(2,3-difluorophenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2,3-difluorophenoxy)acetate
PubChem CID63037600
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Namemethyl 2-(2,3-difluorophenoxy)acetate
SMILESCOC(=O)COc1cccc(F)c1F
InChIInChI=1S/C9H8F2O3/c1-13-8(12)5-14-7-4-2-3-6(10)9(7)11/h2-4H,5H2,1H3
InChIKeyNZMFMJNHKKGSJK-UHFFFAOYSA-N
XLogP1.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
(Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine
CID 166159422
methyl 4-(2,3-difluorophenoxy)-2-ethylbut-2-enoate
CID 77102358
methyl 3-oxobutanoate;1,2,3-trifluorobenzene
CID 157368457
CID 58544147
CID 58544147
1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene
CID 130719015
methyl 2-(3-amino-2-methylphenoxy)acetate
CID 43437919
2-hydroxy-6-(2-methoxy-2-oxoethoxy)benzoic acid
CID 21250849
methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate
CID 65443788
2-(2,3-difluorophenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 55144573
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
CID 86756275

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-difluorophenoxy)acetate?
The IUPAC name of methyl 2-(2,3-difluorophenoxy)acetate (CID 63037600) is methyl 2-(2,3-difluorophenoxy)acetate.
What is the SMILES notation for methyl 2-(2,3-difluorophenoxy)acetate?
The canonical SMILES for methyl 2-(2,3-difluorophenoxy)acetate is COC(=O)COc1cccc(F)c1F.
What is the InChIKey of methyl 2-(2,3-difluorophenoxy)acetate?
The InChIKey is NZMFMJNHKKGSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c1-13-8(12)5-14-7-4-2-3-6(10)9(7)11/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(2,3-difluorophenoxy)acetate?
methyl 2-(2,3-difluorophenoxy)acetate has a molecular weight of 202.16 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-difluorophenoxy)acetate is sourced from PubChem (CID 63037600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).