ethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate

C7H8FNO3S — CID 81296787

IUPACethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate
SMILESCCOC(=O)C(F)n1ccsc1=O
InChIInChI=1S/C7H8FNO3S/c1-2-12-6(10)5(8)9-3-4-13-7(9)11/h3-5H,2H2,1H3
InChIKeyYVNPTHJSADSFGE-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.94
Rot. Bonds3

About ethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate

ethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 81296787) has the molecular formula C7H8FNO3S and a molecular weight of 205.21 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID81296787
Molecular FormulaC7H8FNO3S
Molecular Weight205.21 g/mol
Exact Mass205.02
IUPAC Nameethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate
SMILESCCOC(=O)C(F)n1ccsc1=O
InChIInChI=1S/C7H8FNO3S/c1-2-12-6(10)5(8)9-3-4-13-7(9)11/h3-5H,2H2,1H3
InChIKeyYVNPTHJSADSFGE-UHFFFAOYSA-N
XLogP0.94
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate (CID 81296787) is ethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate is CCOC(=O)C(F)n1ccsc1=O.
What is the InChIKey of ethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is YVNPTHJSADSFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3S/c1-2-12-6(10)5(8)9-3-4-13-7(9)11/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate?
ethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 205.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 81296787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).