(2-fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate

C9H11FO3S — CID 100969563

IUPAC(2-fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate
SMILESCC(=O)OCC(F)(CO)c1ccsc1
InChIInChI=1S/C9H11FO3S/c1-7(12)13-6-9(10,5-11)8-2-3-14-4-8/h2-4,11H,5-6H2,1H3
InChIKeyINGSOJLXLIVGFB-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.47
Rot. Bonds4

About (2-fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate

(2-fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate (PubChem CID 100969563) has the molecular formula C9H11FO3S and a molecular weight of 218.25 g/mol. Its IUPAC name is (2-fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate.

Molecular Properties

Compound Name(2-fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate
PubChem CID100969563
Molecular FormulaC9H11FO3S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name(2-fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate
SMILESCC(=O)OCC(F)(CO)c1ccsc1
InChIInChI=1S/C9H11FO3S/c1-7(12)13-6-9(10,5-11)8-2-3-14-4-8/h2-4,11H,5-6H2,1H3
InChIKeyINGSOJLXLIVGFB-UHFFFAOYSA-N
XLogP1.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate?
The IUPAC name of (2-fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate (CID 100969563) is (2-fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate.
What is the SMILES notation for (2-fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate?
The canonical SMILES for (2-fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate is CC(=O)OCC(F)(CO)c1ccsc1.
What is the InChIKey of (2-fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate?
The InChIKey is INGSOJLXLIVGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3S/c1-7(12)13-6-9(10,5-11)8-2-3-14-4-8/h2-4,11H,5-6H2,1H3.
What are the key properties of (2-fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate?
(2-fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate has a molecular weight of 218.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-hydroxy-2-thiophen-3-ylpropyl) acetate is sourced from PubChem (CID 100969563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).