2-(3,3,3-trifluoropropylsulfonyl)ethanamine

C5H10F3NO2S — CID 58684689

IUPAC2-(3,3,3-trifluoropropylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c6-5(7,8)1-3-12(10,11)4-2-9/h1-4,9H2
InChIKeyCIZGWGIPFRKINS-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.31
Rot. Bonds4

About 2-(3,3,3-trifluoropropylsulfonyl)ethanamine

2-(3,3,3-trifluoropropylsulfonyl)ethanamine (PubChem CID 58684689) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylsulfonyl)ethanamine
PubChem CID58684689
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC Name2-(3,3,3-trifluoropropylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c6-5(7,8)1-3-12(10,11)4-2-9/h1-4,9H2
InChIKeyCIZGWGIPFRKINS-UHFFFAOYSA-N
XLogP0.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropylsulfonyl)ethanamine?
The IUPAC name of 2-(3,3,3-trifluoropropylsulfonyl)ethanamine (CID 58684689) is 2-(3,3,3-trifluoropropylsulfonyl)ethanamine.
What is the SMILES notation for 2-(3,3,3-trifluoropropylsulfonyl)ethanamine?
The canonical SMILES for 2-(3,3,3-trifluoropropylsulfonyl)ethanamine is NCCS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropylsulfonyl)ethanamine?
The InChIKey is CIZGWGIPFRKINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c6-5(7,8)1-3-12(10,11)4-2-9/h1-4,9H2.
What are the key properties of 2-(3,3,3-trifluoropropylsulfonyl)ethanamine?
2-(3,3,3-trifluoropropylsulfonyl)ethanamine has a molecular weight of 205.20 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylsulfonyl)ethanamine is sourced from PubChem (CID 58684689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).