2,2,2-trifluoro-1-thiophen-2-ylethanamine

C6H6F3NS — CID 11171338

IUPAC2,2,2-trifluoro-1-thiophen-2-ylethanamine
SMILESNC(c1cccs1)C(F)(F)F
InChIInChI=1S/C6H6F3NS/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5H,10H2
InChIKeyAIMATLPOKDHHTR-UHFFFAOYSA-N
MW181.18 g/mol
LogP2.31
Rot. Bonds1

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

2,2,2-trifluoro-1-thiophen-2-ylethanamine (PubChem CID 11171338) has the molecular formula C6H6F3NS and a molecular weight of 181.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-thiophen-2-ylethanamine
PubChem CID11171338
Molecular FormulaC6H6F3NS
Molecular Weight181.18 g/mol
Exact Mass181.02
IUPAC Name2,2,2-trifluoro-1-thiophen-2-ylethanamine
SMILESNC(c1cccs1)C(F)(F)F
InChIInChI=1S/C6H6F3NS/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5H,10H2
InChIKeyAIMATLPOKDHHTR-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 52.31
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-1-thiophen-2-ylethanamine?
The IUPAC name of 2,2,2-trifluoro-1-thiophen-2-ylethanamine (CID 11171338) is 2,2,2-trifluoro-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-thiophen-2-ylethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-thiophen-2-ylethanamine is NC(c1cccs1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-thiophen-2-ylethanamine?
The InChIKey is AIMATLPOKDHHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5H,10H2.
What are the key properties of 2,2,2-trifluoro-1-thiophen-2-ylethanamine?
2,2,2-trifluoro-1-thiophen-2-ylethanamine has a molecular weight of 181.18 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-thiophen-2-ylethanamine is sourced from PubChem (CID 11171338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).