ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate

C11H11ClF2O3 — CID 166132530

IUPACethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1cccc(Cl)c1OC
InChIInChI=1S/C11H11ClF2O3/c1-3-17-10(15)11(13,14)7-5-4-6-8(12)9(7)16-2/h4-6H,3H2,1-2H3
InChIKeyXVSUTDPKOCYNAA-UHFFFAOYSA-N
MW264.65 g/mol
LogP3.00
Rot. Bonds4

About ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate

ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate (PubChem CID 166132530) has the molecular formula C11H11ClF2O3 and a molecular weight of 264.65 g/mol. Its IUPAC name is ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate
PubChem CID166132530
Molecular FormulaC11H11ClF2O3
Molecular Weight264.65 g/mol
Exact Mass264.04
IUPAC Nameethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1cccc(Cl)c1OC
InChIInChI=1S/C11H11ClF2O3/c1-3-17-10(15)11(13,14)7-5-4-6-8(12)9(7)16-2/h4-6H,3H2,1-2H3
InChIKeyXVSUTDPKOCYNAA-UHFFFAOYSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.65
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate (CID 166132530) is ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1cccc(Cl)c1OC.
What is the InChIKey of ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate?
The InChIKey is XVSUTDPKOCYNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2O3/c1-3-17-10(15)11(13,14)7-5-4-6-8(12)9(7)16-2/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate?
ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate has a molecular weight of 264.65 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate is sourced from PubChem (CID 166132530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).