2-(trifluoromethylsulfanyl)ethanamine chloride

C3H6ClF3NS- — CID 75530521

IUPAC2-(trifluoromethylsulfanyl)ethanamine chloride
SMILESNCCSC(F)(F)F.[Cl-]
InChIInChI=1S/C3H6F3NS.ClH/c4-3(5,6)8-2-1-7;/h1-2,7H2;1H/p-1
InChIKeyISOAWERAXILIQV-UHFFFAOYSA-M
MW180.60 g/mol
LogP-1.80
Rot. Bonds2

About 2-(trifluoromethylsulfanyl)ethanamine chloride

2-(trifluoromethylsulfanyl)ethanamine chloride (PubChem CID 75530521) has the molecular formula C3H6ClF3NS- and a molecular weight of 180.60 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanyl)ethanamine chloride.

Molecular Properties

Compound Name2-(trifluoromethylsulfanyl)ethanamine chloride
PubChem CID75530521
Molecular FormulaC3H6ClF3NS-
Molecular Weight180.60 g/mol
Exact Mass179.99
IUPAC Name2-(trifluoromethylsulfanyl)ethanamine chloride
SMILESNCCSC(F)(F)F.[Cl-]
InChIInChI=1S/C3H6F3NS.ClH/c4-3(5,6)8-2-1-7;/h1-2,7H2;1H/p-1
InChIKeyISOAWERAXILIQV-UHFFFAOYSA-M
XLogP-1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.60
LogP ≤ 5-1.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfanyl)ethanamine chloride?
The IUPAC name of 2-(trifluoromethylsulfanyl)ethanamine chloride (CID 75530521) is 2-(trifluoromethylsulfanyl)ethanamine chloride.
What is the SMILES notation for 2-(trifluoromethylsulfanyl)ethanamine chloride?
The canonical SMILES for 2-(trifluoromethylsulfanyl)ethanamine chloride is NCCSC(F)(F)F.[Cl-].
What is the InChIKey of 2-(trifluoromethylsulfanyl)ethanamine chloride?
The InChIKey is ISOAWERAXILIQV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6F3NS.ClH/c4-3(5,6)8-2-1-7;/h1-2,7H2;1H/p-1.
What are the key properties of 2-(trifluoromethylsulfanyl)ethanamine chloride?
2-(trifluoromethylsulfanyl)ethanamine chloride has a molecular weight of 180.60 g/mol, XLogP of -1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanyl)ethanamine chloride is sourced from PubChem (CID 75530521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).