4-amino-6-(difluoromethyl)-1-benzothiophen-2-ol

C9H7F2NOS — CID 131059955

IUPAC4-amino-6-(difluoromethyl)-1-benzothiophen-2-ol
SMILESNc1cc(C(F)F)cc2sc(O)cc12
InChIInChI=1S/C9H7F2NOS/c10-9(11)4-1-6(12)5-3-8(13)14-7(5)2-4/h1-3,9,13H,12H2
InChIKeyVWMWPTDJTIDPSH-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.13
Rot. Bonds1

About 4-amino-6-(difluoromethyl)-1-benzothiophen-2-ol

4-amino-6-(difluoromethyl)-1-benzothiophen-2-ol (PubChem CID 131059955) has the molecular formula C9H7F2NOS and a molecular weight of 215.22 g/mol. Its IUPAC name is 4-amino-6-(difluoromethyl)-1-benzothiophen-2-ol.

Molecular Properties

Compound Name4-amino-6-(difluoromethyl)-1-benzothiophen-2-ol
PubChem CID131059955
Molecular FormulaC9H7F2NOS
Molecular Weight215.22 g/mol
Exact Mass215.02
IUPAC Name4-amino-6-(difluoromethyl)-1-benzothiophen-2-ol
SMILESNc1cc(C(F)F)cc2sc(O)cc12
InChIInChI=1S/C9H7F2NOS/c10-9(11)4-1-6(12)5-3-8(13)14-7(5)2-4/h1-3,9,13H,12H2
InChIKeyVWMWPTDJTIDPSH-UHFFFAOYSA-N
XLogP3.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-6-(difluoromethyl)-1-benzothiophen-2-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 4-amino-6-(difluoromethyl)-1-benzothiophen-2-ol?
The IUPAC name of 4-amino-6-(difluoromethyl)-1-benzothiophen-2-ol (CID 131059955) is 4-amino-6-(difluoromethyl)-1-benzothiophen-2-ol.
What is the SMILES notation for 4-amino-6-(difluoromethyl)-1-benzothiophen-2-ol?
The canonical SMILES for 4-amino-6-(difluoromethyl)-1-benzothiophen-2-ol is Nc1cc(C(F)F)cc2sc(O)cc12.
What is the InChIKey of 4-amino-6-(difluoromethyl)-1-benzothiophen-2-ol?
The InChIKey is VWMWPTDJTIDPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NOS/c10-9(11)4-1-6(12)5-3-8(13)14-7(5)2-4/h1-3,9,13H,12H2.
What are the key properties of 4-amino-6-(difluoromethyl)-1-benzothiophen-2-ol?
4-amino-6-(difluoromethyl)-1-benzothiophen-2-ol has a molecular weight of 215.22 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(difluoromethyl)-1-benzothiophen-2-ol is sourced from PubChem (CID 131059955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).