1-(fluoromethylsulfonyl)ethane

C3H7FO2S — CID 13415042

IUPAC1-(fluoromethylsulfonyl)ethane
SMILESCCS(=O)(=O)CF
InChIInChI=1S/C3H7FO2S/c1-2-7(5,6)3-4/h2-3H2,1H3
InChIKeyMASSZLINROTYNX-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.35
Rot. Bonds2

About 1-(fluoromethylsulfonyl)ethane

1-(fluoromethylsulfonyl)ethane (PubChem CID 13415042) has the molecular formula C3H7FO2S and a molecular weight of 126.15 g/mol. Its IUPAC name is 1-(fluoromethylsulfonyl)ethane.

Molecular Properties

Compound Name1-(fluoromethylsulfonyl)ethane
PubChem CID13415042
Molecular FormulaC3H7FO2S
Molecular Weight126.15 g/mol
Exact Mass126.02
IUPAC Name1-(fluoromethylsulfonyl)ethane
SMILESCCS(=O)(=O)CF
InChIInChI=1S/C3H7FO2S/c1-2-7(5,6)3-4/h2-3H2,1H3
InChIKeyMASSZLINROTYNX-UHFFFAOYSA-N
XLogP0.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl methyl sulfone
CID 79059
2-(Methylsulfanyl)ethane-1-sulfonate
CID 18343309
Trifluoromethanesulphonylethane
CID 18551361
1-Fluoroethane-1-sulfonyl chloride
CID 23163370
Ethyl(fluoromethyl)sulfoxide
CID 57458873
1-Fluoro-1-methylsulfinylethane
CID 57681771
1-Fluoro-2-methylsulfonylethane
CID 15671389
2-Fluoroethanesulfonate
CID 18400380
1,1,1-Trifluoro-2-methylsulfonylethane
CID 20513524
1-Fluoroethanesulfinate
CID 21612634
1-Fluoro-2-methylsulfinylethane
CID 53932799
1-Ethylsulfonyl-2-fluoroethane
CID 54066356

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethylsulfonyl)ethane?
The IUPAC name of 1-(fluoromethylsulfonyl)ethane (CID 13415042) is 1-(fluoromethylsulfonyl)ethane.
What is the SMILES notation for 1-(fluoromethylsulfonyl)ethane?
The canonical SMILES for 1-(fluoromethylsulfonyl)ethane is CCS(=O)(=O)CF.
What is the InChIKey of 1-(fluoromethylsulfonyl)ethane?
The InChIKey is MASSZLINROTYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO2S/c1-2-7(5,6)3-4/h2-3H2,1H3.
What are the key properties of 1-(fluoromethylsulfonyl)ethane?
1-(fluoromethylsulfonyl)ethane has a molecular weight of 126.15 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethylsulfonyl)ethane is sourced from PubChem (CID 13415042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).