3-amino-2-fluoro-1-thiophen-2-ylpropan-1-ol

C7H10FNOS — CID 59769547

IUPAC3-amino-2-fluoro-1-thiophen-2-ylpropan-1-ol
SMILESNCC(F)C(O)c1cccs1
InChIInChI=1S/C7H10FNOS/c8-5(4-9)7(10)6-2-1-3-11-6/h1-3,5,7,10H,4,9H2
InChIKeyKOBYZXRMZJBWHC-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.08
Rot. Bonds3

About 3-amino-2-fluoro-1-thiophen-2-ylpropan-1-ol

3-amino-2-fluoro-1-thiophen-2-ylpropan-1-ol (PubChem CID 59769547) has the molecular formula C7H10FNOS and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-amino-2-fluoro-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-fluoro-1-thiophen-2-ylpropan-1-ol
PubChem CID59769547
Molecular FormulaC7H10FNOS
Molecular Weight175.23 g/mol
Exact Mass175.05
IUPAC Name3-amino-2-fluoro-1-thiophen-2-ylpropan-1-ol
SMILESNCC(F)C(O)c1cccs1
InChIInChI=1S/C7H10FNOS/c8-5(4-9)7(10)6-2-1-3-11-6/h1-3,5,7,10H,4,9H2
InChIKeyKOBYZXRMZJBWHC-UHFFFAOYSA-N
XLogP1.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-fluoro-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-fluoro-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-amino-2-fluoro-1-thiophen-2-ylpropan-1-ol (CID 59769547) is 3-amino-2-fluoro-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-amino-2-fluoro-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-amino-2-fluoro-1-thiophen-2-ylpropan-1-ol is NCC(F)C(O)c1cccs1.
What is the InChIKey of 3-amino-2-fluoro-1-thiophen-2-ylpropan-1-ol?
The InChIKey is KOBYZXRMZJBWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNOS/c8-5(4-9)7(10)6-2-1-3-11-6/h1-3,5,7,10H,4,9H2.
What are the key properties of 3-amino-2-fluoro-1-thiophen-2-ylpropan-1-ol?
3-amino-2-fluoro-1-thiophen-2-ylpropan-1-ol has a molecular weight of 175.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-fluoro-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 59769547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).