ethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate

C8H10FNO3S — CID 135065054

IUPACethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)[C@H](F)[C@@H](O)c1nccs1
InChIInChI=1S/C8H10FNO3S/c1-2-13-8(12)5(9)6(11)7-10-3-4-14-7/h3-6,11H,2H2,1H3/t5-,6-/m1/s1
InChIKeyIPGCADCOXCBBTH-PHDIDXHHSA-N
MW219.24 g/mol
LogP1.08
Rot. Bonds4

About ethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate

ethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate (PubChem CID 135065054) has the molecular formula C8H10FNO3S and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate
PubChem CID135065054
Molecular FormulaC8H10FNO3S
Molecular Weight219.24 g/mol
Exact Mass219.04
IUPAC Nameethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate
SMILESCCOC(=O)[C@H](F)[C@@H](O)c1nccs1
InChIInChI=1S/C8H10FNO3S/c1-2-13-8(12)5(9)6(11)7-10-3-4-14-7/h3-6,11H,2H2,1H3/t5-,6-/m1/s1
InChIKeyIPGCADCOXCBBTH-PHDIDXHHSA-N
XLogP1.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of ethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate (CID 135065054) is ethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for ethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for ethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate is CCOC(=O)[C@H](F)[C@@H](O)c1nccs1.
What is the InChIKey of ethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate?
The InChIKey is IPGCADCOXCBBTH-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H10FNO3S/c1-2-13-8(12)5(9)6(11)7-10-3-4-14-7/h3-6,11H,2H2,1H3/t5-,6-/m1/s1.
What are the key properties of ethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate?
ethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate has a molecular weight of 219.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 135065054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).