ethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate

C10H13FN2O3 — CID 79366924

IUPACethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate
SMILESCCOC(=O)C(F)C(C)(O)c1cnccn1
InChIInChI=1S/C10H13FN2O3/c1-3-16-9(14)8(11)10(2,15)7-6-12-4-5-13-7/h4-6,8,15H,3H2,1-2H3
InChIKeyFTLWAANWDCEOKC-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.59
Rot. Bonds4

About ethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate

ethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate (PubChem CID 79366924) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is ethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate
PubChem CID79366924
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Nameethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate
SMILESCCOC(=O)C(F)C(C)(O)c1cnccn1
InChIInChI=1S/C10H13FN2O3/c1-3-16-9(14)8(11)10(2,15)7-6-12-4-5-13-7/h4-6,8,15H,3H2,1-2H3
InChIKeyFTLWAANWDCEOKC-UHFFFAOYSA-N
XLogP0.59
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate?
The IUPAC name of ethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate (CID 79366924) is ethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate.
What is the SMILES notation for ethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate?
The canonical SMILES for ethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate is CCOC(=O)C(F)C(C)(O)c1cnccn1.
What is the InChIKey of ethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate?
The InChIKey is FTLWAANWDCEOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-3-16-9(14)8(11)10(2,15)7-6-12-4-5-13-7/h4-6,8,15H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate?
ethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate has a molecular weight of 228.22 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-hydroxy-3-pyrazin-2-ylbutanoate is sourced from PubChem (CID 79366924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).