N-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine

C13H12F3NS — CID 101053434

IUPACN-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine
SMILESFC(F)(F)C(NCc1ccccc1)c1cccs1
InChIInChI=1S/C13H12F3NS/c14-13(15,16)12(11-7-4-8-18-11)17-9-10-5-2-1-3-6-10/h1-8,12,17H,9H2
InChIKeyWFSIUZYAWQQETK-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.14
Rot. Bonds4

About N-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine

N-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine (PubChem CID 101053434) has the molecular formula C13H12F3NS and a molecular weight of 271.31 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine
PubChem CID101053434
Molecular FormulaC13H12F3NS
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC NameN-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine
SMILESFC(F)(F)C(NCc1ccccc1)c1cccs1
InChIInChI=1S/C13H12F3NS/c14-13(15,16)12(11-7-4-8-18-11)17-9-10-5-2-1-3-6-10/h1-8,12,17H,9H2
InChIKeyWFSIUZYAWQQETK-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine?
The IUPAC name of N-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine (CID 101053434) is N-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine is FC(F)(F)C(NCc1ccccc1)c1cccs1.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine?
The InChIKey is WFSIUZYAWQQETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS/c14-13(15,16)12(11-7-4-8-18-11)17-9-10-5-2-1-3-6-10/h1-8,12,17H,9H2.
What are the key properties of N-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine?
N-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine has a molecular weight of 271.31 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-1-thiophen-2-ylethanamine is sourced from PubChem (CID 101053434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).