ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate

C10H10F2O3 — CID 94365189

IUPACethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
SMILESCCOC(=O)[C@H](O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2O3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5,9,13H,2H2,1H3/t9-/m1/s1
InChIKeyAGBLMWRLLTXJSX-SECBINFHSA-N
MW216.18 g/mol
LogP1.56
Rot. Bonds3

About ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate

ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate (PubChem CID 94365189) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
PubChem CID94365189
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Nameethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
SMILESCCOC(=O)[C@H](O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2O3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5,9,13H,2H2,1H3/t9-/m1/s1
InChIKeyAGBLMWRLLTXJSX-SECBINFHSA-N
XLogP1.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295
ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
CID 62215366
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
ethyl 3-(3,4-difluorophenyl)-2-hydroxybutanoate
CID 66287955
ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate
CID 117471883
ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117357409
ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117335732
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl (2S)-2-(3,4-difluorophenyl)-2-(methylamino)acetate
CID 51888823
ethyl 4-(3,4-difluorophenyl)-4-hydroxy-3-methylbutanoate
CID 146576795
ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117353289
ethyl 2-(3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 69387082

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate?
The IUPAC name of ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate (CID 94365189) is ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate is CCOC(=O)[C@H](O)c1ccc(F)c(F)c1.
What is the InChIKey of ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate?
The InChIKey is AGBLMWRLLTXJSX-SECBINFHSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5,9,13H,2H2,1H3/t9-/m1/s1.
What are the key properties of ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate?
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate has a molecular weight of 216.18 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 94365189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).