3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol

C13H13ClFNOS — CID 65186431

IUPAC3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol
SMILESNCC(c1c(F)cccc1Cl)C(O)c1cccs1
InChIInChI=1S/C13H13ClFNOS/c14-9-3-1-4-10(15)12(9)8(7-16)13(17)11-5-2-6-18-11/h1-6,8,13,17H,7,16H2
InChIKeySXZIIWULEQRLPK-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.32
Rot. Bonds4

About 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol

3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol (PubChem CID 65186431) has the molecular formula C13H13ClFNOS and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol
PubChem CID65186431
Molecular FormulaC13H13ClFNOS
Molecular Weight285.77 g/mol
Exact Mass285.04
IUPAC Name3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol
SMILESNCC(c1c(F)cccc1Cl)C(O)c1cccs1
InChIInChI=1S/C13H13ClFNOS/c14-9-3-1-4-10(15)12(9)8(7-16)13(17)11-5-2-6-18-11/h1-6,8,13,17H,7,16H2
InChIKeySXZIIWULEQRLPK-UHFFFAOYSA-N
XLogP3.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-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 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol (CID 65186431) is 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol is NCC(c1c(F)cccc1Cl)C(O)c1cccs1.
What is the InChIKey of 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol?
The InChIKey is SXZIIWULEQRLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNOS/c14-9-3-1-4-10(15)12(9)8(7-16)13(17)11-5-2-6-18-11/h1-6,8,13,17H,7,16H2.
What are the key properties of 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol?
3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol has a molecular weight of 285.77 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-6-fluorophenyl)-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 65186431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).