ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate

C11H10Cl2F2O3 — CID 121228272

IUPACethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1c(Cl)cc(Cl)cc1OC(F)F
InChIInChI=1S/C11H10Cl2F2O3/c1-2-17-10(16)5-7-8(13)3-6(12)4-9(7)18-11(14)15/h3-4,11H,2,5H2,1H3
InChIKeyRHSMQPYZZOOTJI-UHFFFAOYSA-N
MW299.10 g/mol
LogP3.70
Rot. Bonds5

About ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate

ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate (PubChem CID 121228272) has the molecular formula C11H10Cl2F2O3 and a molecular weight of 299.10 g/mol. Its IUPAC name is ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate
PubChem CID121228272
Molecular FormulaC11H10Cl2F2O3
Molecular Weight299.10 g/mol
Exact Mass298.00
IUPAC Nameethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1c(Cl)cc(Cl)cc1OC(F)F
InChIInChI=1S/C11H10Cl2F2O3/c1-2-17-10(16)5-7-8(13)3-6(12)4-9(7)18-11(14)15/h3-4,11H,2,5H2,1H3
InChIKeyRHSMQPYZZOOTJI-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-chloro-4-(difluoromethoxy)-6-fluorophenyl]acetate
CID 171005078
ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate
CID 171028412
ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate
CID 171004298
ethyl 2-[5-(bromomethyl)-2-chloro-4-(difluoromethoxy)phenyl]acetate
CID 171012483
ethyl 2-[2-bromo-6-(difluoromethoxy)-4-formylphenyl]acetate
CID 171009744
ethyl 2-(2,6-dichloro-4-formylphenyl)acetate
CID 171006294
ethyl 2-[2-(chloromethyl)-6-(difluoromethoxy)-3-methylphenyl]acetate
CID 171019073
ethyl 2-[2-chloro-3-(difluoromethoxy)phenyl]acetate
CID 171028407
ethyl 2-[2-amino-3-(difluoromethoxy)-6-methylphenyl]acetate
CID 171011575
ethyl 2-[2-chloro-3-cyano-6-(difluoromethoxy)phenyl]acetate
CID 134653089
ethyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228349
ethyl 2-[4-(chloromethyl)-5-(difluoromethoxy)-2-methylphenyl]acetate
CID 171018999

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate?
The IUPAC name of ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate (CID 121228272) is ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate?
The canonical SMILES for ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate is CCOC(=O)Cc1c(Cl)cc(Cl)cc1OC(F)F.
What is the InChIKey of ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate?
The InChIKey is RHSMQPYZZOOTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F2O3/c1-2-17-10(16)5-7-8(13)3-6(12)4-9(7)18-11(14)15/h3-4,11H,2,5H2,1H3.
What are the key properties of ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate?
ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate has a molecular weight of 299.10 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate is sourced from PubChem (CID 121228272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).