2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine

C9H13F3N2OS — CID 66386411

IUPAC2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCOCC(F)(F)F
InChIInChI=1S/C9H13F3N2OS/c10-9(11,12)6-15-3-2-14-5-8-7(13)1-4-16-8/h1,4,14H,2-3,5-6,13H2
InChIKeyQNGZJVALKNGFEE-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.00
Rot. Bonds6

About 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine

2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine (PubChem CID 66386411) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine
PubChem CID66386411
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCOCC(F)(F)F
InChIInChI=1S/C9H13F3N2OS/c10-9(11,12)6-15-3-2-14-5-8-7(13)1-4-16-8/h1,4,14H,2-3,5-6,13H2
InChIKeyQNGZJVALKNGFEE-UHFFFAOYSA-N
XLogP2.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine (CID 66386411) is 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine is Nc1ccsc1CNCCOCC(F)(F)F.
What is the InChIKey of 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine?
The InChIKey is QNGZJVALKNGFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c10-9(11,12)6-15-3-2-14-5-8-7(13)1-4-16-8/h1,4,14H,2-3,5-6,13H2.
What are the key properties of 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine?
2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine has a molecular weight of 254.28 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66386411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).