methyl 2-(2-chloro-3,5-difluorophenoxy)acetate

C9H7ClF2O3 — CID 164905285

IUPACmethyl 2-(2-chloro-3,5-difluorophenoxy)acetate
SMILESCOC(=O)COc1cc(F)cc(F)c1Cl
InChIInChI=1S/C9H7ClF2O3/c1-14-8(13)4-15-7-3-5(11)2-6(12)9(7)10/h2-3H,4H2,1H3
InChIKeyCFGIFRDYCVZTGN-UHFFFAOYSA-N
MW236.60 g/mol
LogP2.17
Rot. Bonds3

About methyl 2-(2-chloro-3,5-difluorophenoxy)acetate

methyl 2-(2-chloro-3,5-difluorophenoxy)acetate (PubChem CID 164905285) has the molecular formula C9H7ClF2O3 and a molecular weight of 236.60 g/mol. Its IUPAC name is methyl 2-(2-chloro-3,5-difluorophenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-3,5-difluorophenoxy)acetate
PubChem CID164905285
Molecular FormulaC9H7ClF2O3
Molecular Weight236.60 g/mol
Exact Mass236.01
IUPAC Namemethyl 2-(2-chloro-3,5-difluorophenoxy)acetate
SMILESCOC(=O)COc1cc(F)cc(F)c1Cl
InChIInChI=1S/C9H7ClF2O3/c1-14-8(13)4-15-7-3-5(11)2-6(12)9(7)10/h2-3H,4H2,1H3
InChIKeyCFGIFRDYCVZTGN-UHFFFAOYSA-N
XLogP2.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.60
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
N-[2-(2-chloro-3,5-difluorophenoxy)ethyl]acetamide
CID 91962518
2-chloro-1,5-difluoro-3-(4-methoxybutoxy)benzene
CID 59339533
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
methyl 2-(2-fluoro-5-formylphenoxy)acetate
CID 168890908
methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate
CID 47083412
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098
methyl 2-(2,6-difluoro-4-formylphenoxy)acetate
CID 79891826
methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate
CID 63066050

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-3,5-difluorophenoxy)acetate?
The IUPAC name of methyl 2-(2-chloro-3,5-difluorophenoxy)acetate (CID 164905285) is methyl 2-(2-chloro-3,5-difluorophenoxy)acetate.
What is the SMILES notation for methyl 2-(2-chloro-3,5-difluorophenoxy)acetate?
The canonical SMILES for methyl 2-(2-chloro-3,5-difluorophenoxy)acetate is COC(=O)COc1cc(F)cc(F)c1Cl.
What is the InChIKey of methyl 2-(2-chloro-3,5-difluorophenoxy)acetate?
The InChIKey is CFGIFRDYCVZTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O3/c1-14-8(13)4-15-7-3-5(11)2-6(12)9(7)10/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(2-chloro-3,5-difluorophenoxy)acetate?
methyl 2-(2-chloro-3,5-difluorophenoxy)acetate has a molecular weight of 236.60 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-3,5-difluorophenoxy)acetate is sourced from PubChem (CID 164905285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).