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

C6H11FO3 — CID 97048138

IUPACethyl (2R,3S)-2-fluoro-3-hydroxybutanoate
SMILESCCOC(=O)[C@H](F)[C@H](C)O
InChIInChI=1S/C6H11FO3/c1-3-10-6(9)5(7)4(2)8/h4-5,8H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyGQURZXWOXDVWTD-CRCLSJGQSA-N
MW150.15 g/mol
LogP0.27
Rot. Bonds3

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

ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate (PubChem CID 97048138) has the molecular formula C6H11FO3 and a molecular weight of 150.15 g/mol. Its IUPAC name is ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-fluoro-3-hydroxybutanoate
PubChem CID97048138
Molecular FormulaC6H11FO3
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Nameethyl (2R,3S)-2-fluoro-3-hydroxybutanoate
SMILESCCOC(=O)[C@H](F)[C@H](C)O
InChIInChI=1S/C6H11FO3/c1-3-10-6(9)5(7)4(2)8/h4-5,8H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyGQURZXWOXDVWTD-CRCLSJGQSA-N
XLogP0.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2,3-difluorobutanedioate
CID 12868425
ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 642623
ethyl 2-fluoro-3-methylpent-4-enoate
CID 86259333
ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate
CID 79367296
ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate
CID 131864124
ethyl (2S,4R)-2-fluoro-4-hydroxypentanoate
CID 102183126
ethyl 2,3,5-trifluoropentanoate
CID 174529809
ethyl (2R,4S)-2-fluoro-4-hydroxypentanoate
CID 102183129
ethyl 2-fluoro-2-(3-hydroxybutan-2-ylsulfanyl)acetate
CID 107770116
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
ethyl 2-amino-2-hydroxyacetate;hydrochloride
CID 88745536
ethyl 2-fluoro-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]butanoate
CID 103859840

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate?
The IUPAC name of ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate (CID 97048138) is ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate.
What is the SMILES notation for ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate?
The canonical SMILES for ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate is CCOC(=O)[C@H](F)[C@H](C)O.
What is the InChIKey of ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate?
The InChIKey is GQURZXWOXDVWTD-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11FO3/c1-3-10-6(9)5(7)4(2)8/h4-5,8H,3H2,1-2H3/t4-,5+/m0/s1.
What are the key properties of ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate?
ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate has a molecular weight of 150.15 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate is sourced from PubChem (CID 97048138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).