ethyl 2-tert-butylsulfanyl-2,2-difluoroacetate

C8H14F2O2S — CID 10656171

IUPACethyl 2-tert-butylsulfanyl-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)SC(C)(C)C
InChIInChI=1S/C8H14F2O2S/c1-5-12-6(11)8(9,10)13-7(2,3)4/h5H2,1-4H3
InChIKeyHZYLLMNYPFYUDF-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.67
Rot. Bonds3

About ethyl 2-tert-butylsulfanyl-2,2-difluoroacetate

ethyl 2-tert-butylsulfanyl-2,2-difluoroacetate (PubChem CID 10656171) has the molecular formula C8H14F2O2S and a molecular weight of 212.26 g/mol. Its IUPAC name is ethyl 2-tert-butylsulfanyl-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-tert-butylsulfanyl-2,2-difluoroacetate
PubChem CID10656171
Molecular FormulaC8H14F2O2S
Molecular Weight212.26 g/mol
Exact Mass212.07
IUPAC Nameethyl 2-tert-butylsulfanyl-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)SC(C)(C)C
InChIInChI=1S/C8H14F2O2S/c1-5-12-6(11)8(9,10)13-7(2,3)4/h5H2,1-4H3
InChIKeyHZYLLMNYPFYUDF-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-tert-butylsulfanyl-2,2-difluoroacetate?
The IUPAC name of ethyl 2-tert-butylsulfanyl-2,2-difluoroacetate (CID 10656171) is ethyl 2-tert-butylsulfanyl-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-tert-butylsulfanyl-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-tert-butylsulfanyl-2,2-difluoroacetate is CCOC(=O)C(F)(F)SC(C)(C)C.
What is the InChIKey of ethyl 2-tert-butylsulfanyl-2,2-difluoroacetate?
The InChIKey is HZYLLMNYPFYUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2S/c1-5-12-6(11)8(9,10)13-7(2,3)4/h5H2,1-4H3.
What are the key properties of ethyl 2-tert-butylsulfanyl-2,2-difluoroacetate?
ethyl 2-tert-butylsulfanyl-2,2-difluoroacetate has a molecular weight of 212.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-tert-butylsulfanyl-2,2-difluoroacetate is sourced from PubChem (CID 10656171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).