1-(difluoromethoxy)-2-methylsulfanylethane

C4H8F2OS — CID 122581351

IUPAC1-(difluoromethoxy)-2-methylsulfanylethane
SMILESCSCCOC(F)F
InChIInChI=1S/C4H8F2OS/c1-8-3-2-7-4(5)6/h4H,2-3H2,1H3
InChIKeyJTNCLYHRTANYTC-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.59
Rot. Bonds4

About 1-(difluoromethoxy)-2-methylsulfanylethane

1-(difluoromethoxy)-2-methylsulfanylethane (PubChem CID 122581351) has the molecular formula C4H8F2OS and a molecular weight of 142.17 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-methylsulfanylethane.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-methylsulfanylethane
PubChem CID122581351
Molecular FormulaC4H8F2OS
Molecular Weight142.17 g/mol
Exact Mass142.03
IUPAC Name1-(difluoromethoxy)-2-methylsulfanylethane
SMILESCSCCOC(F)F
InChIInChI=1S/C4H8F2OS/c1-8-3-2-7-4(5)6/h4H,2-3H2,1H3
InChIKeyJTNCLYHRTANYTC-UHFFFAOYSA-N
XLogP1.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(difluoromethoxy)-2-methylsulfanylethane 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 1-(difluoromethoxy)-2-methylsulfanylethane?
The IUPAC name of 1-(difluoromethoxy)-2-methylsulfanylethane (CID 122581351) is 1-(difluoromethoxy)-2-methylsulfanylethane.
What is the SMILES notation for 1-(difluoromethoxy)-2-methylsulfanylethane?
The canonical SMILES for 1-(difluoromethoxy)-2-methylsulfanylethane is CSCCOC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-methylsulfanylethane?
The InChIKey is JTNCLYHRTANYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2OS/c1-8-3-2-7-4(5)6/h4H,2-3H2,1H3.
What are the key properties of 1-(difluoromethoxy)-2-methylsulfanylethane?
1-(difluoromethoxy)-2-methylsulfanylethane has a molecular weight of 142.17 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-methylsulfanylethane is sourced from PubChem (CID 122581351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).