ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate

C11H11ClF2O3 — CID 171028412

IUPACethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C11H11ClF2O3/c1-2-16-10(15)6-7-3-4-9(8(12)5-7)17-11(13)14/h3-5,11H,2,6H2,1H3
InChIKeyFMXGFOMMOBOQOX-UHFFFAOYSA-N
MW264.65 g/mol
LogP3.05
Rot. Bonds5

About ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate

ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate (PubChem CID 171028412) has the molecular formula C11H11ClF2O3 and a molecular weight of 264.65 g/mol. Its IUPAC name is ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate
PubChem CID171028412
Molecular FormulaC11H11ClF2O3
Molecular Weight264.65 g/mol
Exact Mass264.04
IUPAC Nameethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C11H11ClF2O3/c1-2-16-10(15)6-7-3-4-9(8(12)5-7)17-11(13)14/h3-5,11H,2,6H2,1H3
InChIKeyFMXGFOMMOBOQOX-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.65
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate
CID 134632922
ethyl 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]acetate
CID 171004298
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-(4-bromobutoxy)-3-chlorophenyl]acetate
CID 139659897
2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 110190887
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
ethyl 2-(4-acetyl-3-chlorophenyl)acetate
CID 121231968
ethyl 2-[2-chloro-3-(difluoromethoxy)phenyl]acetate
CID 171028407
ethyl 2-[4-(4-amino-3-methylphenoxy)-3-chlorophenyl]acetate
CID 89159471
ethyl 2-[4-(chloromethyl)-5-(difluoromethoxy)-2-methylphenyl]acetate
CID 171018999
ethyl 2-[3-chloro-2-cyano-4-(difluoromethoxy)phenyl]acetate
CID 134653100

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate?
The IUPAC name of ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate (CID 171028412) is ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate?
The canonical SMILES for ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate is CCOC(=O)Cc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate?
The InChIKey is FMXGFOMMOBOQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2O3/c1-2-16-10(15)6-7-3-4-9(8(12)5-7)17-11(13)14/h3-5,11H,2,6H2,1H3.
What are the key properties of ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate?
ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate has a molecular weight of 264.65 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate is sourced from PubChem (CID 171028412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).