ethyl 2-(difluoromethylsulfanyl)acetate

C5H8F2O2S — CID 2109196

IUPACethyl 2-(difluoromethylsulfanyl)acetate
SMILESCCOC(=O)CSC(F)F
InChIInChI=1S/C5H8F2O2S/c1-2-9-4(8)3-10-5(6)7/h5H,2-3H2,1H3
InChIKeyBHSGCNVBTNXNDF-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.51
Rot. Bonds4

About ethyl 2-(difluoromethylsulfanyl)acetate

ethyl 2-(difluoromethylsulfanyl)acetate (PubChem CID 2109196) has the molecular formula C5H8F2O2S and a molecular weight of 170.18 g/mol. Its IUPAC name is ethyl 2-(difluoromethylsulfanyl)acetate.

Molecular Properties

Compound Nameethyl 2-(difluoromethylsulfanyl)acetate
PubChem CID2109196
Molecular FormulaC5H8F2O2S
Molecular Weight170.18 g/mol
Exact Mass170.02
IUPAC Nameethyl 2-(difluoromethylsulfanyl)acetate
SMILESCCOC(=O)CSC(F)F
InChIInChI=1S/C5H8F2O2S/c1-2-9-4(8)3-10-5(6)7/h5H,2-3H2,1H3
InChIKeyBHSGCNVBTNXNDF-UHFFFAOYSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze ethyl 2-(difluoromethylsulfanyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethylsulfanyl)acetate?
The IUPAC name of ethyl 2-(difluoromethylsulfanyl)acetate (CID 2109196) is ethyl 2-(difluoromethylsulfanyl)acetate.
What is the SMILES notation for ethyl 2-(difluoromethylsulfanyl)acetate?
The canonical SMILES for ethyl 2-(difluoromethylsulfanyl)acetate is CCOC(=O)CSC(F)F.
What is the InChIKey of ethyl 2-(difluoromethylsulfanyl)acetate?
The InChIKey is BHSGCNVBTNXNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2S/c1-2-9-4(8)3-10-5(6)7/h5H,2-3H2,1H3.
What are the key properties of ethyl 2-(difluoromethylsulfanyl)acetate?
ethyl 2-(difluoromethylsulfanyl)acetate has a molecular weight of 170.18 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(difluoromethylsulfanyl)acetate is sourced from PubChem (CID 2109196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).