ethyl 2,2-difluoro-2-methylsulfanylacetate

C5H8F2O2S — CID 11332710

IUPACethyl 2,2-difluoro-2-methylsulfanylacetate
SMILESCCOC(=O)C(F)(F)SC
InChIInChI=1S/C5H8F2O2S/c1-3-9-4(8)5(6,7)10-2/h3H2,1-2H3
InChIKeyCKCVAWVNZLPFHF-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.51
Rot. Bonds3

About ethyl 2,2-difluoro-2-methylsulfanylacetate

ethyl 2,2-difluoro-2-methylsulfanylacetate (PubChem CID 11332710) has the molecular formula C5H8F2O2S and a molecular weight of 170.18 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-methylsulfanylacetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-methylsulfanylacetate
PubChem CID11332710
Molecular FormulaC5H8F2O2S
Molecular Weight170.18 g/mol
Exact Mass170.02
IUPAC Nameethyl 2,2-difluoro-2-methylsulfanylacetate
SMILESCCOC(=O)C(F)(F)SC
InChIInChI=1S/C5H8F2O2S/c1-3-9-4(8)5(6,7)10-2/h3H2,1-2H3
InChIKeyCKCVAWVNZLPFHF-UHFFFAOYSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.51
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-methylsulfanylacetate?
The IUPAC name of ethyl 2,2-difluoro-2-methylsulfanylacetate (CID 11332710) is ethyl 2,2-difluoro-2-methylsulfanylacetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-methylsulfanylacetate?
The canonical SMILES for ethyl 2,2-difluoro-2-methylsulfanylacetate is CCOC(=O)C(F)(F)SC.
What is the InChIKey of ethyl 2,2-difluoro-2-methylsulfanylacetate?
The InChIKey is CKCVAWVNZLPFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2S/c1-3-9-4(8)5(6,7)10-2/h3H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-methylsulfanylacetate?
ethyl 2,2-difluoro-2-methylsulfanylacetate has a molecular weight of 170.18 g/mol, XLogP of 1.51, 3 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-methylsulfanylacetate is sourced from PubChem (CID 11332710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).