2-(2,2,2-trifluoroethylsulfinyl)ethanamine

C4H8F3NOS — CID 58684100

IUPAC2-(2,2,2-trifluoroethylsulfinyl)ethanamine
SMILESNCCS(=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NOS/c5-4(6,7)3-10(9)2-1-8/h1-3,8H2
InChIKeyDTVVONWNPPOAMF-UHFFFAOYSA-N
MW175.17 g/mol
LogP0.26
Rot. Bonds3

About 2-(2,2,2-trifluoroethylsulfinyl)ethanamine

2-(2,2,2-trifluoroethylsulfinyl)ethanamine (PubChem CID 58684100) has the molecular formula C4H8F3NOS and a molecular weight of 175.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfinyl)ethanamine
PubChem CID58684100
Molecular FormulaC4H8F3NOS
Molecular Weight175.17 g/mol
Exact Mass175.03
IUPAC Name2-(2,2,2-trifluoroethylsulfinyl)ethanamine
SMILESNCCS(=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NOS/c5-4(6,7)3-10(9)2-1-8/h1-3,8H2
InChIKeyDTVVONWNPPOAMF-UHFFFAOYSA-N
XLogP0.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfinyl)ethanamine?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfinyl)ethanamine (CID 58684100) is 2-(2,2,2-trifluoroethylsulfinyl)ethanamine.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfinyl)ethanamine?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfinyl)ethanamine is NCCS(=O)CC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfinyl)ethanamine?
The InChIKey is DTVVONWNPPOAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NOS/c5-4(6,7)3-10(9)2-1-8/h1-3,8H2.
What are the key properties of 2-(2,2,2-trifluoroethylsulfinyl)ethanamine?
2-(2,2,2-trifluoroethylsulfinyl)ethanamine has a molecular weight of 175.17 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfinyl)ethanamine is sourced from PubChem (CID 58684100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).