1-(fluoromethylsulfinyl)ethane

C3H7FOS — CID 57458873

IUPAC1-(fluoromethylsulfinyl)ethane
SMILESCCS(=O)CF
InChIInChI=1S/C3H7FOS/c1-2-6(5)3-4/h2-3H2,1H3
InChIKeyOAKKEQOKMAWNII-UHFFFAOYSA-N
MW110.15 g/mol
LogP0.68
Rot. Bonds2

About 1-(fluoromethylsulfinyl)ethane

1-(fluoromethylsulfinyl)ethane (PubChem CID 57458873) has the molecular formula C3H7FOS and a molecular weight of 110.15 g/mol. Its IUPAC name is 1-(fluoromethylsulfinyl)ethane.

Molecular Properties

Compound Name1-(fluoromethylsulfinyl)ethane
PubChem CID57458873
Molecular FormulaC3H7FOS
Molecular Weight110.15 g/mol
Exact Mass110.02
IUPAC Name1-(fluoromethylsulfinyl)ethane
SMILESCCS(=O)CF
InChIInChI=1S/C3H7FOS/c1-2-6(5)3-4/h2-3H2,1H3
InChIKeyOAKKEQOKMAWNII-UHFFFAOYSA-N
XLogP0.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.15
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethylsulfinyl)ethane?
The IUPAC name of 1-(fluoromethylsulfinyl)ethane (CID 57458873) is 1-(fluoromethylsulfinyl)ethane.
What is the SMILES notation for 1-(fluoromethylsulfinyl)ethane?
The canonical SMILES for 1-(fluoromethylsulfinyl)ethane is CCS(=O)CF.
What is the InChIKey of 1-(fluoromethylsulfinyl)ethane?
The InChIKey is OAKKEQOKMAWNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FOS/c1-2-6(5)3-4/h2-3H2,1H3.
What are the key properties of 1-(fluoromethylsulfinyl)ethane?
1-(fluoromethylsulfinyl)ethane has a molecular weight of 110.15 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethylsulfinyl)ethane is sourced from PubChem (CID 57458873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).