ethyl 2-fluoro-3-hydroxybutanoate

C6H11FO3 — CID 71360732

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

About ethyl 2-fluoro-3-hydroxybutanoate

ethyl 2-fluoro-3-hydroxybutanoate (PubChem CID 71360732) has the molecular formula C6H11FO3 and a molecular weight of 150.15 g/mol. Its IUPAC name is ethyl 2-fluoro-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-hydroxybutanoate
PubChem CID71360732
Molecular FormulaC6H11FO3
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Nameethyl 2-fluoro-3-hydroxybutanoate
SMILESCCOC(=O)C(F)C(C)O
InChIInChI=1S/C6H11FO3/c1-3-10-6(9)5(7)4(2)8/h4-5,8H,3H2,1-2H3
InChIKeyGQURZXWOXDVWTD-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-hydroxybutanoate?
The IUPAC name of ethyl 2-fluoro-3-hydroxybutanoate (CID 71360732) is ethyl 2-fluoro-3-hydroxybutanoate.
What is the SMILES notation for ethyl 2-fluoro-3-hydroxybutanoate?
The canonical SMILES for ethyl 2-fluoro-3-hydroxybutanoate is CCOC(=O)C(F)C(C)O.
What is the InChIKey of ethyl 2-fluoro-3-hydroxybutanoate?
The InChIKey is GQURZXWOXDVWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3/c1-3-10-6(9)5(7)4(2)8/h4-5,8H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-3-hydroxybutanoate?
ethyl 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 2-fluoro-3-hydroxybutanoate is sourced from PubChem (CID 71360732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).