ethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate

C11H13FO3S — CID 10083179

IUPACethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate
SMILESCCOC(=O)C(F)Sc1ccc(OC)cc1
InChIInChI=1S/C11H13FO3S/c1-3-15-11(13)10(12)16-9-6-4-8(14-2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeySOWYPAQZFOPAFR-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.65
Rot. Bonds5

About ethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate

ethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate (PubChem CID 10083179) has the molecular formula C11H13FO3S and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate
PubChem CID10083179
Molecular FormulaC11H13FO3S
Molecular Weight244.29 g/mol
Exact Mass244.06
IUPAC Nameethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate
SMILESCCOC(=O)C(F)Sc1ccc(OC)cc1
InChIInChI=1S/C11H13FO3S/c1-3-15-11(13)10(12)16-9-6-4-8(14-2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeySOWYPAQZFOPAFR-UHFFFAOYSA-N
XLogP2.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate?
The IUPAC name of ethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate (CID 10083179) is ethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate is CCOC(=O)C(F)Sc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate?
The InChIKey is SOWYPAQZFOPAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3S/c1-3-15-11(13)10(12)16-9-6-4-8(14-2)5-7-9/h4-7,10H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate?
ethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate has a molecular weight of 244.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate is sourced from PubChem (CID 10083179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).