3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one

C8H8F3NOS — CID 96886723

IUPAC3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one
SMILESNCCC(=O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3NOS/c9-8(10,11)7-2-1-6(14-7)5(13)3-4-12/h1-2H,3-4,12H2
InChIKeyTUEGMJYDPYENIU-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.30
Rot. Bonds3

About 3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one

3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one (PubChem CID 96886723) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one
PubChem CID96886723
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one
SMILESNCCC(=O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C8H8F3NOS/c9-8(10,11)7-2-1-6(14-7)5(13)3-4-12/h1-2H,3-4,12H2
InChIKeyTUEGMJYDPYENIU-UHFFFAOYSA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one?
The IUPAC name of 3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one (CID 96886723) is 3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one is NCCC(=O)c1ccc(C(F)(F)F)s1.
What is the InChIKey of 3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one?
The InChIKey is TUEGMJYDPYENIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c9-8(10,11)7-2-1-6(14-7)5(13)3-4-12/h1-2H,3-4,12H2.
What are the key properties of 3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one?
3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one has a molecular weight of 223.22 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 96886723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).