4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

C8H9ClFNO — CID 71742121

IUPAC4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2cccc(F)c21
InChIInChI=1S/C8H8FNO.ClH/c9-5-2-1-3-7-8(5)6(10)4-11-7;/h1-3,6H,4,10H2;1H
InChIKeyUYHZWXUWYDOLLQ-UHFFFAOYSA-N
MW189.62 g/mol
LogP1.64
Rot. Bonds

About 4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (PubChem CID 71742121) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is 4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.

Molecular Properties

Compound Name4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
PubChem CID71742121
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC Name4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2cccc(F)c21
InChIInChI=1S/C8H8FNO.ClH/c9-5-2-1-3-7-8(5)6(10)4-11-7;/h1-3,6H,4,10H2;1H
InChIKeyUYHZWXUWYDOLLQ-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride 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-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The IUPAC name of 4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (CID 71742121) is 4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.
What is the SMILES notation for 4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The canonical SMILES for 4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is Cl.NC1COc2cccc(F)c21.
What is the InChIKey of 4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The InChIKey is UYHZWXUWYDOLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO.ClH/c9-5-2-1-3-7-8(5)6(10)4-11-7;/h1-3,6H,4,10H2;1H.
What are the key properties of 4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride has a molecular weight of 189.62 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is sourced from PubChem (CID 71742121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).