1-fluoro-1-(1-fluoroethylsulfanyl)ethane

C4H8F2S — CID 87128095

IUPAC1-fluoro-1-(1-fluoroethylsulfanyl)ethane
SMILESCC(F)SC(C)F
InChIInChI=1S/C4H8F2S/c1-3(5)7-4(2)6/h3-4H,1-2H3
InChIKeyPOYDMOLGDIHFAU-UHFFFAOYSA-N
MW126.17 g/mol
LogP2.35
Rot. Bonds2

About 1-fluoro-1-(1-fluoroethylsulfanyl)ethane

1-fluoro-1-(1-fluoroethylsulfanyl)ethane (PubChem CID 87128095) has the molecular formula C4H8F2S and a molecular weight of 126.17 g/mol. Its IUPAC name is 1-fluoro-1-(1-fluoroethylsulfanyl)ethane.

Molecular Properties

Compound Name1-fluoro-1-(1-fluoroethylsulfanyl)ethane
PubChem CID87128095
Molecular FormulaC4H8F2S
Molecular Weight126.17 g/mol
Exact Mass126.03
IUPAC Name1-fluoro-1-(1-fluoroethylsulfanyl)ethane
SMILESCC(F)SC(C)F
InChIInChI=1S/C4H8F2S/c1-3(5)7-4(2)6/h3-4H,1-2H3
InChIKeyPOYDMOLGDIHFAU-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-1-(1-fluoroethylsulfanyl)ethane 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-fluoro-1-(1-fluoroethylsulfanyl)ethane?
The IUPAC name of 1-fluoro-1-(1-fluoroethylsulfanyl)ethane (CID 87128095) is 1-fluoro-1-(1-fluoroethylsulfanyl)ethane.
What is the SMILES notation for 1-fluoro-1-(1-fluoroethylsulfanyl)ethane?
The canonical SMILES for 1-fluoro-1-(1-fluoroethylsulfanyl)ethane is CC(F)SC(C)F.
What is the InChIKey of 1-fluoro-1-(1-fluoroethylsulfanyl)ethane?
The InChIKey is POYDMOLGDIHFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2S/c1-3(5)7-4(2)6/h3-4H,1-2H3.
What are the key properties of 1-fluoro-1-(1-fluoroethylsulfanyl)ethane?
1-fluoro-1-(1-fluoroethylsulfanyl)ethane has a molecular weight of 126.17 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(1-fluoroethylsulfanyl)ethane is sourced from PubChem (CID 87128095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).