2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol

C8H10F3NOS — CID 164658424

IUPAC2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol
SMILESCC(N)C(O)c1cscc1C(F)(F)F
InChIInChI=1S/C8H10F3NOS/c1-4(12)7(13)5-2-14-3-6(5)8(9,10)11/h2-4,7,13H,12H2,1H3
InChIKeyFLULEZWGHOFTFB-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.15
Rot. Bonds2

About 2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol

2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol (PubChem CID 164658424) has the molecular formula C8H10F3NOS and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol
PubChem CID164658424
Molecular FormulaC8H10F3NOS
Molecular Weight225.24 g/mol
Exact Mass225.04
IUPAC Name2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol
SMILESCC(N)C(O)c1cscc1C(F)(F)F
InChIInChI=1S/C8H10F3NOS/c1-4(12)7(13)5-2-14-3-6(5)8(9,10)11/h2-4,7,13H,12H2,1H3
InChIKeyFLULEZWGHOFTFB-UHFFFAOYSA-N
XLogP2.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol?
The IUPAC name of 2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol (CID 164658424) is 2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol.
What is the SMILES notation for 2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol?
The canonical SMILES for 2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol is CC(N)C(O)c1cscc1C(F)(F)F.
What is the InChIKey of 2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol?
The InChIKey is FLULEZWGHOFTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-4(12)7(13)5-2-14-3-6(5)8(9,10)11/h2-4,7,13H,12H2,1H3.
What are the key properties of 2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol?
2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol has a molecular weight of 225.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol is sourced from PubChem (CID 164658424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).