2-[(S)-2,2,2-trifluoroethylsulfinyl]ethanamine

C4H8F3NOS — CID 124512898

IUPAC2-[(S)-2,2,2-trifluoroethylsulfinyl]ethanamine
SMILESNCC[S@](=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NOS/c5-4(6,7)3-10(9)2-1-8/h1-3,8H2/t10-/m0/s1
InChIKeyDTVVONWNPPOAMF-JTQLQIEISA-N
MW175.17 g/mol
LogP0.26
Rot. Bonds3

About 2-[(S)-2,2,2-trifluoroethylsulfinyl]ethanamine

2-[(S)-2,2,2-trifluoroethylsulfinyl]ethanamine (PubChem CID 124512898) has the molecular formula C4H8F3NOS and a molecular weight of 175.17 g/mol. Its IUPAC name is 2-[(S)-2,2,2-trifluoroethylsulfinyl]ethanamine.

Molecular Properties

Compound Name2-[(S)-2,2,2-trifluoroethylsulfinyl]ethanamine
PubChem CID124512898
Molecular FormulaC4H8F3NOS
Molecular Weight175.17 g/mol
Exact Mass175.03
IUPAC Name2-[(S)-2,2,2-trifluoroethylsulfinyl]ethanamine
SMILESNCC[S@](=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NOS/c5-4(6,7)3-10(9)2-1-8/h1-3,8H2/t10-/m0/s1
InChIKeyDTVVONWNPPOAMF-JTQLQIEISA-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-[(S)-2,2,2-trifluoroethylsulfinyl]ethanamine?
The IUPAC name of 2-[(S)-2,2,2-trifluoroethylsulfinyl]ethanamine (CID 124512898) is 2-[(S)-2,2,2-trifluoroethylsulfinyl]ethanamine.
What is the SMILES notation for 2-[(S)-2,2,2-trifluoroethylsulfinyl]ethanamine?
The canonical SMILES for 2-[(S)-2,2,2-trifluoroethylsulfinyl]ethanamine is NCC[S@](=O)CC(F)(F)F.
What is the InChIKey of 2-[(S)-2,2,2-trifluoroethylsulfinyl]ethanamine?
The InChIKey is DTVVONWNPPOAMF-JTQLQIEISA-N. The full InChI is InChI=1S/C4H8F3NOS/c5-4(6,7)3-10(9)2-1-8/h1-3,8H2/t10-/m0/s1.
What are the key properties of 2-[(S)-2,2,2-trifluoroethylsulfinyl]ethanamine?
2-[(S)-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-[(S)-2,2,2-trifluoroethylsulfinyl]ethanamine is sourced from PubChem (CID 124512898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).