N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C9H12F3NOS — CID 60733754

IUPACN-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1ccsc1
InChIInChI=1S/C9H12F3NOS/c10-9(11,12)7-14-3-2-13-5-8-1-4-15-6-8/h1,4,6,13H,2-3,5,7H2
InChIKeyVGCRQCPXKWLIBX-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.42
Rot. Bonds6

About N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 60733754) has the molecular formula C9H12F3NOS and a molecular weight of 239.26 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID60733754
Molecular FormulaC9H12F3NOS
Molecular Weight239.26 g/mol
Exact Mass239.06
IUPAC NameN-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1ccsc1
InChIInChI=1S/C9H12F3NOS/c10-9(11,12)7-14-3-2-13-5-8-1-4-15-6-8/h1,4,6,13H,2-3,5,7H2
InChIKeyVGCRQCPXKWLIBX-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.42
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 N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 60733754) is N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCc1ccsc1.
What is the InChIKey of N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is VGCRQCPXKWLIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NOS/c10-9(11,12)7-14-3-2-13-5-8-1-4-15-6-8/h1,4,6,13H,2-3,5,7H2.
What are the key properties of N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 239.26 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 60733754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).