2-(2,2,2-trifluoroethylsulfonyl)ethanamine;hydrochloride

C4H9ClF3NO2S — CID 122156693

IUPAC2-(2,2,2-trifluoroethylsulfonyl)ethanamine;hydrochloride
SMILESCl.NCCS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NO2S.ClH/c5-4(6,7)3-11(9,10)2-1-8;/h1-3,8H2;1H
InChIKeySQQJGJGTBYSBMC-UHFFFAOYSA-N
MW227.63 g/mol
LogP0.34
Rot. Bonds3

About 2-(2,2,2-trifluoroethylsulfonyl)ethanamine;hydrochloride

2-(2,2,2-trifluoroethylsulfonyl)ethanamine;hydrochloride (PubChem CID 122156693) has the molecular formula C4H9ClF3NO2S and a molecular weight of 227.63 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfonyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfonyl)ethanamine;hydrochloride
PubChem CID122156693
Molecular FormulaC4H9ClF3NO2S
Molecular Weight227.63 g/mol
Exact Mass227.00
IUPAC Name2-(2,2,2-trifluoroethylsulfonyl)ethanamine;hydrochloride
SMILESCl.NCCS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NO2S.ClH/c5-4(6,7)3-11(9,10)2-1-8;/h1-3,8H2;1H
InChIKeySQQJGJGTBYSBMC-UHFFFAOYSA-N
XLogP0.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.63
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfonyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfonyl)ethanamine;hydrochloride (CID 122156693) is 2-(2,2,2-trifluoroethylsulfonyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfonyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfonyl)ethanamine;hydrochloride is Cl.NCCS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfonyl)ethanamine;hydrochloride?
The InChIKey is SQQJGJGTBYSBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S.ClH/c5-4(6,7)3-11(9,10)2-1-8;/h1-3,8H2;1H.
What are the key properties of 2-(2,2,2-trifluoroethylsulfonyl)ethanamine;hydrochloride?
2-(2,2,2-trifluoroethylsulfonyl)ethanamine;hydrochloride has a molecular weight of 227.63 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfonyl)ethanamine;hydrochloride is sourced from PubChem (CID 122156693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).