6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

C8H8Cl3NO — CID 50988686

IUPAC6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2c1ccc(Cl)c2Cl
InChIInChI=1S/C8H7Cl2NO.ClH/c9-5-2-1-4-6(11)3-12-8(4)7(5)10;/h1-2,6H,3,11H2;1H
InChIKeyWKSMBXXHCXDUIJ-UHFFFAOYSA-N
MW240.52 g/mol
LogP2.81
Rot. Bonds

About 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (PubChem CID 50988686) has the molecular formula C8H8Cl3NO and a molecular weight of 240.52 g/mol. Its IUPAC name is 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.

Molecular Properties

Compound Name6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
PubChem CID50988686
Molecular FormulaC8H8Cl3NO
Molecular Weight240.52 g/mol
Exact Mass238.97
IUPAC Name6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2c1ccc(Cl)c2Cl
InChIInChI=1S/C8H7Cl2NO.ClH/c9-5-2-1-4-6(11)3-12-8(4)7(5)10;/h1-2,6H,3,11H2;1H
InChIKeyWKSMBXXHCXDUIJ-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The IUPAC name of 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (CID 50988686) is 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.
What is the SMILES notation for 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The canonical SMILES for 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is Cl.NC1COc2c1ccc(Cl)c2Cl.
What is the InChIKey of 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The InChIKey is WKSMBXXHCXDUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO.ClH/c9-5-2-1-4-6(11)3-12-8(4)7(5)10;/h1-2,6H,3,11H2;1H.
What are the key properties of 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride has a molecular weight of 240.52 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is sourced from PubChem (CID 50988686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).