2-(2-fluoroethylsulfonyl)ethanamine

C4H10FNO2S — CID 58684749

IUPAC2-(2-fluoroethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CCF
InChIInChI=1S/C4H10FNO2S/c5-1-3-9(7,8)4-2-6/h1-4,6H2
InChIKeyRGAYMFVKERQXIE-UHFFFAOYSA-N
MW155.19 g/mol
LogP-0.67
Rot. Bonds4

About 2-(2-fluoroethylsulfonyl)ethanamine

2-(2-fluoroethylsulfonyl)ethanamine (PubChem CID 58684749) has the molecular formula C4H10FNO2S and a molecular weight of 155.19 g/mol. Its IUPAC name is 2-(2-fluoroethylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoroethylsulfonyl)ethanamine
PubChem CID58684749
Molecular FormulaC4H10FNO2S
Molecular Weight155.19 g/mol
Exact Mass155.04
IUPAC Name2-(2-fluoroethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CCF
InChIInChI=1S/C4H10FNO2S/c5-1-3-9(7,8)4-2-6/h1-4,6H2
InChIKeyRGAYMFVKERQXIE-UHFFFAOYSA-N
XLogP-0.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylsulfonyl)ethanamine?
The IUPAC name of 2-(2-fluoroethylsulfonyl)ethanamine (CID 58684749) is 2-(2-fluoroethylsulfonyl)ethanamine.
What is the SMILES notation for 2-(2-fluoroethylsulfonyl)ethanamine?
The canonical SMILES for 2-(2-fluoroethylsulfonyl)ethanamine is NCCS(=O)(=O)CCF.
What is the InChIKey of 2-(2-fluoroethylsulfonyl)ethanamine?
The InChIKey is RGAYMFVKERQXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO2S/c5-1-3-9(7,8)4-2-6/h1-4,6H2.
What are the key properties of 2-(2-fluoroethylsulfonyl)ethanamine?
2-(2-fluoroethylsulfonyl)ethanamine has a molecular weight of 155.19 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylsulfonyl)ethanamine is sourced from PubChem (CID 58684749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).