ethyl 2-fluoro-2-phenylsulfanylacetate

C10H11FO2S — CID 11148583

IUPACethyl 2-fluoro-2-phenylsulfanylacetate
SMILESCCOC(=O)C(F)Sc1ccccc1
InChIInChI=1S/C10H11FO2S/c1-2-13-10(12)9(11)14-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyLHWIKXHJWRIFPG-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.64
Rot. Bonds4

About ethyl 2-fluoro-2-phenylsulfanylacetate

ethyl 2-fluoro-2-phenylsulfanylacetate (PubChem CID 11148583) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-fluoro-2-phenylsulfanylacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-phenylsulfanylacetate
PubChem CID11148583
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Nameethyl 2-fluoro-2-phenylsulfanylacetate
SMILESCCOC(=O)C(F)Sc1ccccc1
InChIInChI=1S/C10H11FO2S/c1-2-13-10(12)9(11)14-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyLHWIKXHJWRIFPG-UHFFFAOYSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-phenylsulfanylacetate?
The IUPAC name of ethyl 2-fluoro-2-phenylsulfanylacetate (CID 11148583) is ethyl 2-fluoro-2-phenylsulfanylacetate.
What is the SMILES notation for ethyl 2-fluoro-2-phenylsulfanylacetate?
The canonical SMILES for ethyl 2-fluoro-2-phenylsulfanylacetate is CCOC(=O)C(F)Sc1ccccc1.
What is the InChIKey of ethyl 2-fluoro-2-phenylsulfanylacetate?
The InChIKey is LHWIKXHJWRIFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2S/c1-2-13-10(12)9(11)14-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-phenylsulfanylacetate?
ethyl 2-fluoro-2-phenylsulfanylacetate has a molecular weight of 214.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-phenylsulfanylacetate is sourced from PubChem (CID 11148583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).