2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)ethanamine

C8H10F3NS — CID 60998599

IUPAC2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)ethanamine
SMILESFC(F)(F)CNCCc1ccsc1
InChIInChI=1S/C8H10F3NS/c9-8(10,11)6-12-3-1-7-2-4-13-5-7/h2,4-5,12H,1,3,6H2
InChIKeyQMZSHHGNSSVVMA-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.44
Rot. Bonds4

About 2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)ethanamine

2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)ethanamine (PubChem CID 60998599) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)ethanamine
PubChem CID60998599
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)ethanamine
SMILESFC(F)(F)CNCCc1ccsc1
InChIInChI=1S/C8H10F3NS/c9-8(10,11)6-12-3-1-7-2-4-13-5-7/h2,4-5,12H,1,3,6H2
InChIKeyQMZSHHGNSSVVMA-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.44
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-trifluoro-N-(2-thiophen-3-ylethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)ethanamine (CID 60998599) is 2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)ethanamine is FC(F)(F)CNCCc1ccsc1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)ethanamine?
The InChIKey is QMZSHHGNSSVVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS/c9-8(10,11)6-12-3-1-7-2-4-13-5-7/h2,4-5,12H,1,3,6H2.
What are the key properties of 2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)ethanamine?
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)ethanamine has a molecular weight of 209.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)ethanamine is sourced from PubChem (CID 60998599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).