ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate

C16H14F2O3 — CID 117471883

IUPACethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(F)c(-c2ccccc2F)c1
InChIInChI=1S/C16H14F2O3/c1-2-21-16(20)15(19)10-7-8-14(18)12(9-10)11-5-3-4-6-13(11)17/h3-9,15,19H,2H2,1H3
InChIKeyHFJRJKAUDNGXHP-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.23
Rot. Bonds4

About ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate

ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate (PubChem CID 117471883) has the molecular formula C16H14F2O3 and a molecular weight of 292.28 g/mol. Its IUPAC name is ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate
PubChem CID117471883
Molecular FormulaC16H14F2O3
Molecular Weight292.28 g/mol
Exact Mass292.09
IUPAC Nameethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(F)c(-c2ccccc2F)c1
InChIInChI=1S/C16H14F2O3/c1-2-21-16(20)15(19)10-7-8-14(18)12(9-10)11-5-3-4-6-13(11)17/h3-9,15,19H,2H2,1H3
InChIKeyHFJRJKAUDNGXHP-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189
ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
CID 62215366
ethyl 2-(3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 69387082
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117357409
ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117353289
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117335732
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate (CID 117471883) is ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1ccc(F)c(-c2ccccc2F)c1.
What is the InChIKey of ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate?
The InChIKey is HFJRJKAUDNGXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O3/c1-2-21-16(20)15(19)10-7-8-14(18)12(9-10)11-5-3-4-6-13(11)17/h3-9,15,19H,2H2,1H3.
What are the key properties of ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate?
ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate has a molecular weight of 292.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117471883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).