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

C8H7Cl2NO — CID 43512013

IUPAC6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine
SMILESNC1COc2c1ccc(Cl)c2Cl
InChIInChI=1S/C8H7Cl2NO/c9-5-2-1-4-6(11)3-12-8(4)7(5)10/h1-2,6H,3,11H2
InChIKeyURMAYQIYUBDETJ-UHFFFAOYSA-N
MW204.06 g/mol
LogP2.39
Rot. Bonds

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

6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 43512013) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine
PubChem CID43512013
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine
SMILESNC1COc2c1ccc(Cl)c2Cl
InChIInChI=1S/C8H7Cl2NO/c9-5-2-1-4-6(11)3-12-8(4)7(5)10/h1-2,6H,3,11H2
InChIKeyURMAYQIYUBDETJ-UHFFFAOYSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 52.39
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?
The IUPAC name of 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine (CID 43512013) is 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine is NC1COc2c1ccc(Cl)c2Cl.
What is the InChIKey of 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is URMAYQIYUBDETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c9-5-2-1-4-6(11)3-12-8(4)7(5)10/h1-2,6H,3,11H2.
What are the key properties of 6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine?
6,7-dichloro-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 204.06 g/mol, XLogP of 2.39, 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 is sourced from PubChem (CID 43512013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).