ethyl 2,2-difluoro-2-phenylsulfanylacetate

C10H10F2O2S — CID 10775925

IUPACethyl 2,2-difluoro-2-phenylsulfanylacetate
SMILESCCOC(=O)C(F)(F)Sc1ccccc1
InChIInChI=1S/C10H10F2O2S/c1-2-14-9(13)10(11,12)15-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeySAUWUIZUUFYXCS-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.93
Rot. Bonds4

About ethyl 2,2-difluoro-2-phenylsulfanylacetate

ethyl 2,2-difluoro-2-phenylsulfanylacetate (PubChem CID 10775925) has the molecular formula C10H10F2O2S and a molecular weight of 232.25 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-phenylsulfanylacetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-phenylsulfanylacetate
PubChem CID10775925
Molecular FormulaC10H10F2O2S
Molecular Weight232.25 g/mol
Exact Mass232.04
IUPAC Nameethyl 2,2-difluoro-2-phenylsulfanylacetate
SMILESCCOC(=O)C(F)(F)Sc1ccccc1
InChIInChI=1S/C10H10F2O2S/c1-2-14-9(13)10(11,12)15-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeySAUWUIZUUFYXCS-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-phenylsulfanylacetate?
The IUPAC name of ethyl 2,2-difluoro-2-phenylsulfanylacetate (CID 10775925) is ethyl 2,2-difluoro-2-phenylsulfanylacetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-phenylsulfanylacetate?
The canonical SMILES for ethyl 2,2-difluoro-2-phenylsulfanylacetate is CCOC(=O)C(F)(F)Sc1ccccc1.
What is the InChIKey of ethyl 2,2-difluoro-2-phenylsulfanylacetate?
The InChIKey is SAUWUIZUUFYXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2S/c1-2-14-9(13)10(11,12)15-8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-phenylsulfanylacetate?
ethyl 2,2-difluoro-2-phenylsulfanylacetate has a molecular weight of 232.25 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-phenylsulfanylacetate is sourced from PubChem (CID 10775925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).