2-[2-(trifluoromethylsulfanyl)ethoxy]ethanamine

C5H10F3NOS — CID 116616566

IUPAC2-[2-(trifluoromethylsulfanyl)ethoxy]ethanamine
SMILESNCCOCCSC(F)(F)F
InChIInChI=1S/C5H10F3NOS/c6-5(7,8)11-4-3-10-2-1-9/h1-4,9H2
InChIKeyGOFQJFUXCPHCRK-UHFFFAOYSA-N
MW189.20 g/mol
LogP1.21
Rot. Bonds5

About 2-[2-(trifluoromethylsulfanyl)ethoxy]ethanamine

2-[2-(trifluoromethylsulfanyl)ethoxy]ethanamine (PubChem CID 116616566) has the molecular formula C5H10F3NOS and a molecular weight of 189.20 g/mol. Its IUPAC name is 2-[2-(trifluoromethylsulfanyl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(trifluoromethylsulfanyl)ethoxy]ethanamine
PubChem CID116616566
Molecular FormulaC5H10F3NOS
Molecular Weight189.20 g/mol
Exact Mass189.04
IUPAC Name2-[2-(trifluoromethylsulfanyl)ethoxy]ethanamine
SMILESNCCOCCSC(F)(F)F
InChIInChI=1S/C5H10F3NOS/c6-5(7,8)11-4-3-10-2-1-9/h1-4,9H2
InChIKeyGOFQJFUXCPHCRK-UHFFFAOYSA-N
XLogP1.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethylsulfanyl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(trifluoromethylsulfanyl)ethoxy]ethanamine (CID 116616566) is 2-[2-(trifluoromethylsulfanyl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(trifluoromethylsulfanyl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(trifluoromethylsulfanyl)ethoxy]ethanamine is NCCOCCSC(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethylsulfanyl)ethoxy]ethanamine?
The InChIKey is GOFQJFUXCPHCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NOS/c6-5(7,8)11-4-3-10-2-1-9/h1-4,9H2.
What are the key properties of 2-[2-(trifluoromethylsulfanyl)ethoxy]ethanamine?
2-[2-(trifluoromethylsulfanyl)ethoxy]ethanamine has a molecular weight of 189.20 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethylsulfanyl)ethoxy]ethanamine is sourced from PubChem (CID 116616566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).