ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate

C12H14F2O3 — CID 79366999

IUPACethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate
SMILESCCOC(=O)C(F)C(C)(O)c1ccc(F)cc1
InChIInChI=1S/C12H14F2O3/c1-3-17-11(15)10(14)12(2,16)8-4-6-9(13)7-5-8/h4-7,10,16H,3H2,1-2H3
InChIKeyOGZNIWWDIWRPAH-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.93
Rot. Bonds4

About ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate

ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate (PubChem CID 79366999) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate
PubChem CID79366999
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Nameethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate
SMILESCCOC(=O)C(F)C(C)(O)c1ccc(F)cc1
InChIInChI=1S/C12H14F2O3/c1-3-17-11(15)10(14)12(2,16)8-4-6-9(13)7-5-8/h4-7,10,16H,3H2,1-2H3
InChIKeyOGZNIWWDIWRPAH-UHFFFAOYSA-N
XLogP1.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-fluoro-3-(3-fluorophenyl)-3-hydroxybutanoate
CID 79367020
4,4,4-trideuterio-2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanamide
CID 163265766
ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate
CID 79367067
2-ethyl-3-(4-fluorophenyl)-3-hydroxybutanoic acid
CID 62398213
ethyl 3-(2-bromophenyl)-2-fluoro-3-hydroxybutanoate
CID 79366646
diethyl 2-[1-(3-fluorophenyl)-1-hydroxyethyl]propanedioate
CID 62395295
ethyl (2S)-2-fluoro-3-hydroxy-3-methylbutanoate
CID 124511842
ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate
CID 110291402
ethyl 2-fluoro-3-hydroxy-3-(4-hydroxyphenyl)pentanoate
CID 79366102
ethyl (2R,3S)-2-bromo-3-hydroxy-3-phenylbutanoate
CID 11500207
ethyl 3-(2,4-dichloro-5-fluorophenyl)-2-fluoro-3-hydroxybutanoate
CID 79366289
ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate
CID 122388095

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate?
The IUPAC name of ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate (CID 79366999) is ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate?
The canonical SMILES for ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate is CCOC(=O)C(F)C(C)(O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate?
The InChIKey is OGZNIWWDIWRPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-3-17-11(15)10(14)12(2,16)8-4-6-9(13)7-5-8/h4-7,10,16H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate?
ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate has a molecular weight of 244.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-(4-fluorophenyl)-3-hydroxybutanoate is sourced from PubChem (CID 79366999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).