1-fluoro-1-(1-fluoroethylsulfinyl)ethane

C4H8F2OS — CID 87154959

IUPAC1-fluoro-1-(1-fluoroethylsulfinyl)ethane
SMILESCC(F)S(=O)C(C)F
InChIInChI=1S/C4H8F2OS/c1-3(5)8(7)4(2)6/h3-4H,1-2H3
InChIKeyXFXWUAXQYFUHSZ-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.37
Rot. Bonds2

About 1-fluoro-1-(1-fluoroethylsulfinyl)ethane

1-fluoro-1-(1-fluoroethylsulfinyl)ethane (PubChem CID 87154959) has the molecular formula C4H8F2OS and a molecular weight of 142.17 g/mol. Its IUPAC name is 1-fluoro-1-(1-fluoroethylsulfinyl)ethane.

Molecular Properties

Compound Name1-fluoro-1-(1-fluoroethylsulfinyl)ethane
PubChem CID87154959
Molecular FormulaC4H8F2OS
Molecular Weight142.17 g/mol
Exact Mass142.03
IUPAC Name1-fluoro-1-(1-fluoroethylsulfinyl)ethane
SMILESCC(F)S(=O)C(C)F
InChIInChI=1S/C4H8F2OS/c1-3(5)8(7)4(2)6/h3-4H,1-2H3
InChIKeyXFXWUAXQYFUHSZ-UHFFFAOYSA-N
XLogP1.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(1-fluoroethylsulfinyl)ethane?
The IUPAC name of 1-fluoro-1-(1-fluoroethylsulfinyl)ethane (CID 87154959) is 1-fluoro-1-(1-fluoroethylsulfinyl)ethane.
What is the SMILES notation for 1-fluoro-1-(1-fluoroethylsulfinyl)ethane?
The canonical SMILES for 1-fluoro-1-(1-fluoroethylsulfinyl)ethane is CC(F)S(=O)C(C)F.
What is the InChIKey of 1-fluoro-1-(1-fluoroethylsulfinyl)ethane?
The InChIKey is XFXWUAXQYFUHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2OS/c1-3(5)8(7)4(2)6/h3-4H,1-2H3.
What are the key properties of 1-fluoro-1-(1-fluoroethylsulfinyl)ethane?
1-fluoro-1-(1-fluoroethylsulfinyl)ethane has a molecular weight of 142.17 g/mol, XLogP of 1.37, 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-fluoroethylsulfinyl)ethane is sourced from PubChem (CID 87154959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).