N-ethyl-2-(trifluoromethylsulfanyl)ethanamine

C5H10F3NS — CID 75406369

IUPACN-ethyl-2-(trifluoromethylsulfanyl)ethanamine
SMILESCCNCCSC(F)(F)F
InChIInChI=1S/C5H10F3NS/c1-2-9-3-4-10-5(6,7)8/h9H,2-4H2,1H3
InChIKeyIWFZYGQLDGOPKY-UHFFFAOYSA-N
MW173.20 g/mol
LogP1.85
Rot. Bonds4

About N-ethyl-2-(trifluoromethylsulfanyl)ethanamine

N-ethyl-2-(trifluoromethylsulfanyl)ethanamine (PubChem CID 75406369) has the molecular formula C5H10F3NS and a molecular weight of 173.20 g/mol. Its IUPAC name is N-ethyl-2-(trifluoromethylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(trifluoromethylsulfanyl)ethanamine
PubChem CID75406369
Molecular FormulaC5H10F3NS
Molecular Weight173.20 g/mol
Exact Mass173.05
IUPAC NameN-ethyl-2-(trifluoromethylsulfanyl)ethanamine
SMILESCCNCCSC(F)(F)F
InChIInChI=1S/C5H10F3NS/c1-2-9-3-4-10-5(6,7)8/h9H,2-4H2,1H3
InChIKeyIWFZYGQLDGOPKY-UHFFFAOYSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-ethyl-2-(trifluoromethylsulfanyl)ethanamine?
The IUPAC name of N-ethyl-2-(trifluoromethylsulfanyl)ethanamine (CID 75406369) is N-ethyl-2-(trifluoromethylsulfanyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(trifluoromethylsulfanyl)ethanamine?
The canonical SMILES for N-ethyl-2-(trifluoromethylsulfanyl)ethanamine is CCNCCSC(F)(F)F.
What is the InChIKey of N-ethyl-2-(trifluoromethylsulfanyl)ethanamine?
The InChIKey is IWFZYGQLDGOPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NS/c1-2-9-3-4-10-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of N-ethyl-2-(trifluoromethylsulfanyl)ethanamine?
N-ethyl-2-(trifluoromethylsulfanyl)ethanamine has a molecular weight of 173.20 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(trifluoromethylsulfanyl)ethanamine is sourced from PubChem (CID 75406369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).