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

C7H8F3NS — CID 24694116

IUPAC2,2,2-trifluoro-N-(thiophen-3-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1ccsc1
InChIInChI=1S/C7H8F3NS/c8-7(9,10)5-11-3-6-1-2-12-4-6/h1-2,4,11H,3,5H2
InChIKeyIYZKSDUDMKZQFA-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.40
Rot. Bonds3

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

2,2,2-trifluoro-N-(thiophen-3-ylmethyl)ethanamine (PubChem CID 24694116) has the molecular formula C7H8F3NS and a molecular weight of 195.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(thiophen-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(thiophen-3-ylmethyl)ethanamine
PubChem CID24694116
Molecular FormulaC7H8F3NS
Molecular Weight195.21 g/mol
Exact Mass195.03
IUPAC Name2,2,2-trifluoro-N-(thiophen-3-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1ccsc1
InChIInChI=1S/C7H8F3NS/c8-7(9,10)5-11-3-6-1-2-12-4-6/h1-2,4,11H,3,5H2
InChIKeyIYZKSDUDMKZQFA-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(thiophen-3-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(thiophen-3-ylmethyl)ethanamine (CID 24694116) is 2,2,2-trifluoro-N-(thiophen-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(thiophen-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(thiophen-3-ylmethyl)ethanamine is FC(F)(F)CNCc1ccsc1.
What is the InChIKey of 2,2,2-trifluoro-N-(thiophen-3-ylmethyl)ethanamine?
The InChIKey is IYZKSDUDMKZQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NS/c8-7(9,10)5-11-3-6-1-2-12-4-6/h1-2,4,11H,3,5H2.
What are the key properties of 2,2,2-trifluoro-N-(thiophen-3-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(thiophen-3-ylmethyl)ethanamine has a molecular weight of 195.21 g/mol, XLogP of 2.40, 3 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-(thiophen-3-ylmethyl)ethanamine is sourced from PubChem (CID 24694116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).