ethyl (2R,3S)-2-fluoro-3-phenylbutanoate

C12H15FO2 — CID 102075314

IUPACethyl (2R,3S)-2-fluoro-3-phenylbutanoate
SMILESCCOC(=O)[C@H](F)[C@@H](C)c1ccccc1
InChIInChI=1S/C12H15FO2/c1-3-15-12(14)11(13)9(2)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3/t9-,11+/m0/s1
InChIKeyHSRPMIBFEDZADR-GXSJLCMTSA-N
MW210.25 g/mol
LogP2.69
Rot. Bonds4

About ethyl (2R,3S)-2-fluoro-3-phenylbutanoate

ethyl (2R,3S)-2-fluoro-3-phenylbutanoate (PubChem CID 102075314) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is ethyl (2R,3S)-2-fluoro-3-phenylbutanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-fluoro-3-phenylbutanoate
PubChem CID102075314
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Nameethyl (2R,3S)-2-fluoro-3-phenylbutanoate
SMILESCCOC(=O)[C@H](F)[C@@H](C)c1ccccc1
InChIInChI=1S/C12H15FO2/c1-3-15-12(14)11(13)9(2)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3/t9-,11+/m0/s1
InChIKeyHSRPMIBFEDZADR-GXSJLCMTSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl (2R,3S)-2-fluoro-3-phenylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R,3R)-2-fluoro-3-phenylbutanoate
CID 102075316
ethyl (2S,3S)-2-fluoro-3-hydroxy-3-phenylpropanoate
CID 11333326
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479
ethyl 2-amino-3-hydroxy-4-phenylpentanoate
CID 66205533
ethyl (3S)-3-amino-2-fluoro-3-(4-phenylphenyl)propanoate
CID 171249187
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl (2S)-2-[(2-fluoro-2-phenylacetyl)amino]propanoate
CID 22894970
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
ethyl (2S)-2-[(1S)-2-ethoxy-2-oxo-1-phenylethoxy]-2-phenylacetate
CID 129391195

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2-fluoro-3-phenylbutanoate?
The IUPAC name of ethyl (2R,3S)-2-fluoro-3-phenylbutanoate (CID 102075314) is ethyl (2R,3S)-2-fluoro-3-phenylbutanoate.
What is the SMILES notation for ethyl (2R,3S)-2-fluoro-3-phenylbutanoate?
The canonical SMILES for ethyl (2R,3S)-2-fluoro-3-phenylbutanoate is CCOC(=O)[C@H](F)[C@@H](C)c1ccccc1.
What is the InChIKey of ethyl (2R,3S)-2-fluoro-3-phenylbutanoate?
The InChIKey is HSRPMIBFEDZADR-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-15-12(14)11(13)9(2)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3/t9-,11+/m0/s1.
What are the key properties of ethyl (2R,3S)-2-fluoro-3-phenylbutanoate?
ethyl (2R,3S)-2-fluoro-3-phenylbutanoate has a molecular weight of 210.25 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2-fluoro-3-phenylbutanoate is sourced from PubChem (CID 102075314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).