ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate

C11H13FO4 — CID 171865537

IUPACethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1cccc(F)c1
InChIInChI=1S/C11H13FO4/c1-2-16-11(15)10(14)9(13)7-4-3-5-8(12)6-7/h3-6,9-10,13-14H,2H2,1H3
InChIKeyRCTMZTRNJZCTMX-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.78
Rot. Bonds4

About ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate

ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate (PubChem CID 171865537) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate
PubChem CID171865537
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Nameethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1cccc(F)c1
InChIInChI=1S/C11H13FO4/c1-2-16-11(15)10(14)9(13)7-4-3-5-8(12)6-7/h3-6,9-10,13-14H,2H2,1H3
InChIKeyRCTMZTRNJZCTMX-UHFFFAOYSA-N
XLogP0.78
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,3-dihydroxy-3-(3-propan-2-ylphenyl)propanoate
CID 171865944
ethyl 2,3-dihydroxy-3-(3-methylsulfanylphenyl)propanoate
CID 171865651
ethyl 2-(3-fluorophenyl)-2-isocyanoacetate
CID 140839198
ethyl 3-(3-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 62397600
ethyl 2,3-dihydroxy-3-(3-isocyanatophenyl)propanoate
CID 171866227
ethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate
CID 102001487
ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171865985
ethyl 3-(2-amino-4-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865814
methyl 3-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-5-fluorobenzoate
CID 171866654
ethyl 2-diethoxyphosphoryl-2-(3-fluorophenyl)acetate
CID 19920663
ethyl 2,3-dihydroxy-3-(4-hydroxy-3-methylphenyl)propanoate
CID 171865724
ethyl (3R)-2-fluoro-3-hydroxy-3-(3-methylphenyl)propanoate
CID 23236665

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate?
The IUPAC name of ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate (CID 171865537) is ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate is CCOC(=O)C(O)C(O)c1cccc(F)c1.
What is the InChIKey of ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate?
The InChIKey is RCTMZTRNJZCTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-2-16-11(15)10(14)9(13)7-4-3-5-8(12)6-7/h3-6,9-10,13-14H,2H2,1H3.
What are the key properties of ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate?
ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate has a molecular weight of 228.22 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171865537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).