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

C8H9ClFNO — CID 66927081

IUPAC6-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2cc(F)ccc21
InChIInChI=1S/C8H8FNO.ClH/c9-5-1-2-6-7(10)4-11-8(6)3-5;/h1-3,7H,4,10H2;1H
InChIKeyHFKQYAVAOPSXSI-UHFFFAOYSA-N
MW189.62 g/mol
LogP1.64
Rot. Bonds

About 6-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

6-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (PubChem CID 66927081) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is 6-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.

Molecular Properties

Compound Name6-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
PubChem CID66927081
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC Name6-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2cc(F)ccc21
InChIInChI=1S/C8H8FNO.ClH/c9-5-1-2-6-7(10)4-11-8(6)3-5;/h1-3,7H,4,10H2;1H
InChIKeyHFKQYAVAOPSXSI-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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The IUPAC name of 6-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (CID 66927081) is 6-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.
What is the SMILES notation for 6-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The canonical SMILES for 6-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is Cl.NC1COc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The InChIKey is HFKQYAVAOPSXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO.ClH/c9-5-1-2-6-7(10)4-11-8(6)3-5;/h1-3,7H,4,10H2;1H.
What are the key properties of 6-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
6-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 6-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is sourced from PubChem (CID 66927081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).