2-(2,2,2-trifluoroethylsulfanyl)ethanamine

C4H8F3NS — CID 24691578

IUPAC2-(2,2,2-trifluoroethylsulfanyl)ethanamine
SMILESNCCSCC(F)(F)F
InChIInChI=1S/C4H8F3NS/c5-4(6,7)3-9-2-1-8/h1-3,8H2
InChIKeyFEIDZWODBDNLIX-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.24
Rot. Bonds3

About 2-(2,2,2-trifluoroethylsulfanyl)ethanamine

2-(2,2,2-trifluoroethylsulfanyl)ethanamine (PubChem CID 24691578) has the molecular formula C4H8F3NS and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfanyl)ethanamine
PubChem CID24691578
Molecular FormulaC4H8F3NS
Molecular Weight159.18 g/mol
Exact Mass159.03
IUPAC Name2-(2,2,2-trifluoroethylsulfanyl)ethanamine
SMILESNCCSCC(F)(F)F
InChIInChI=1S/C4H8F3NS/c5-4(6,7)3-9-2-1-8/h1-3,8H2
InChIKeyFEIDZWODBDNLIX-UHFFFAOYSA-N
XLogP1.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.24
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 2-(2,2,2-trifluoroethylsulfanyl)ethanamine?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfanyl)ethanamine (CID 24691578) is 2-(2,2,2-trifluoroethylsulfanyl)ethanamine.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfanyl)ethanamine?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfanyl)ethanamine is NCCSCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfanyl)ethanamine?
The InChIKey is FEIDZWODBDNLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NS/c5-4(6,7)3-9-2-1-8/h1-3,8H2.
What are the key properties of 2-(2,2,2-trifluoroethylsulfanyl)ethanamine?
2-(2,2,2-trifluoroethylsulfanyl)ethanamine has a molecular weight of 159.18 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfanyl)ethanamine is sourced from PubChem (CID 24691578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).