ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate

C11H10ClF3O3 — CID 171004298

IUPACethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate
SMILESCCOC(=O)Cc1cc(OC(F)F)c(Cl)cc1F
InChIInChI=1S/C11H10ClF3O3/c1-2-17-10(16)4-6-3-9(18-11(14)15)7(12)5-8(6)13/h3,5,11H,2,4H2,1H3
InChIKeyPUTSULQRTLBTBW-UHFFFAOYSA-N
MW282.64 g/mol
LogP3.19
Rot. Bonds5

About ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate

ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate (PubChem CID 171004298) has the molecular formula C11H10ClF3O3 and a molecular weight of 282.64 g/mol. Its IUPAC name is ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate
PubChem CID171004298
Molecular FormulaC11H10ClF3O3
Molecular Weight282.64 g/mol
Exact Mass282.03
IUPAC Nameethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate
SMILESCCOC(=O)Cc1cc(OC(F)F)c(Cl)cc1F
InChIInChI=1S/C11H10ClF3O3/c1-2-17-10(16)4-6-3-9(18-11(14)15)7(12)5-8(6)13/h3,5,11H,2,4H2,1H3
InChIKeyPUTSULQRTLBTBW-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.64
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-cyano-5-(difluoromethoxy)-2-fluorophenyl]acetate
CID 134653797
ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate
CID 171028412
ethyl 2-[5-cyano-4-(difluoromethoxy)-2-fluorophenyl]acetate
CID 134653787
ethyl 2-(5-chloro-2-fluoro-4-methylphenyl)acetate
CID 134614344
ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate
CID 121228272
ethyl 2-[5-(bromomethyl)-2-chloro-4-(difluoromethoxy)phenyl]acetate
CID 171012483
ethyl 2-[4-(chloromethyl)-5-(difluoromethoxy)-2-methylphenyl]acetate
CID 171018999
ethyl 2-[2-chloro-4-(difluoromethoxy)-6-fluorophenyl]acetate
CID 171005078
ethyl 2-[2-chloro-3-(difluoromethoxy)phenyl]acetate
CID 171028407
ethyl 2,5-dichloro-4-(difluoromethoxy)benzoate
CID 121228202
ethyl 2-[4-(bromomethyl)-2-(difluoromethoxy)-5-methylphenyl]acetate
CID 171015974
ethyl 2-(2-fluoro-5-methoxy-4-methylphenyl)acetate
CID 171008386

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate?
The IUPAC name of ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate (CID 171004298) is ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate.
What is the SMILES notation for ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate?
The canonical SMILES for ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate is CCOC(=O)Cc1cc(OC(F)F)c(Cl)cc1F.
What is the InChIKey of ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate?
The InChIKey is PUTSULQRTLBTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O3/c1-2-17-10(16)4-6-3-9(18-11(14)15)7(12)5-8(6)13/h3,5,11H,2,4H2,1H3.
What are the key properties of ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate?
ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate has a molecular weight of 282.64 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate is sourced from PubChem (CID 171004298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).