ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate

C10H10ClFO3 — CID 62215366

IUPACethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H10ClFO3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5,9,13H,2H2,1H3
InChIKeyZNSRYRUHAPLUPG-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.08
Rot. Bonds3

About ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate

ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate (PubChem CID 62215366) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
PubChem CID62215366
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Nameethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H10ClFO3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5,9,13H,2H2,1H3
InChIKeyZNSRYRUHAPLUPG-UHFFFAOYSA-N
XLogP2.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189
ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295
ethyl 2-amino-3-(4-chloro-3-fluorophenyl)-3-hydroxypropanoate
CID 66207155
ethyl 2-(3-chloro-4,5-difluorophenyl)-2-hydroxyacetate
CID 117379961
ethyl 2-(3-chloro-5-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117374774
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl 2-(3,5-dichloro-4-fluorophenyl)-2-hydroxyacetate
CID 117420956
ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117357409
ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117335732
ethyl 3-(4-chloro-3-fluorophenyl)-3-(dimethylamino)propanoate
CID 64539052
ethyl 2-[4-fluoro-3-(2-fluorophenyl)phenyl]-2-hydroxyacetate
CID 117471883

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate (CID 62215366) is ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1ccc(Cl)c(F)c1.
What is the InChIKey of ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate?
The InChIKey is ZNSRYRUHAPLUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5,9,13H,2H2,1H3.
What are the key properties of ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate?
ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate has a molecular weight of 232.64 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-3-fluorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 62215366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).