2-(2-fluoroethylsulfinyl)ethanamine

C4H10FNOS — CID 58684761

IUPAC2-(2-fluoroethylsulfinyl)ethanamine
SMILESNCCS(=O)CCF
InChIInChI=1S/C4H10FNOS/c5-1-3-8(7)4-2-6/h1-4,6H2
InChIKeyOPSWQSCHOBWTGG-UHFFFAOYSA-N
MW139.19 g/mol
LogP-0.34
Rot. Bonds4

About 2-(2-fluoroethylsulfinyl)ethanamine

2-(2-fluoroethylsulfinyl)ethanamine (PubChem CID 58684761) has the molecular formula C4H10FNOS and a molecular weight of 139.19 g/mol. Its IUPAC name is 2-(2-fluoroethylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoroethylsulfinyl)ethanamine
PubChem CID58684761
Molecular FormulaC4H10FNOS
Molecular Weight139.19 g/mol
Exact Mass139.05
IUPAC Name2-(2-fluoroethylsulfinyl)ethanamine
SMILESNCCS(=O)CCF
InChIInChI=1S/C4H10FNOS/c5-1-3-8(7)4-2-6/h1-4,6H2
InChIKeyOPSWQSCHOBWTGG-UHFFFAOYSA-N
XLogP-0.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylsulfinyl)ethanamine?
The IUPAC name of 2-(2-fluoroethylsulfinyl)ethanamine (CID 58684761) is 2-(2-fluoroethylsulfinyl)ethanamine.
What is the SMILES notation for 2-(2-fluoroethylsulfinyl)ethanamine?
The canonical SMILES for 2-(2-fluoroethylsulfinyl)ethanamine is NCCS(=O)CCF.
What is the InChIKey of 2-(2-fluoroethylsulfinyl)ethanamine?
The InChIKey is OPSWQSCHOBWTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNOS/c5-1-3-8(7)4-2-6/h1-4,6H2.
What are the key properties of 2-(2-fluoroethylsulfinyl)ethanamine?
2-(2-fluoroethylsulfinyl)ethanamine has a molecular weight of 139.19 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylsulfinyl)ethanamine is sourced from PubChem (CID 58684761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).