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

C8H8Cl2FNO — CID 71742120

IUPAC5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2ccc(Cl)c(F)c21
InChIInChI=1S/C8H7ClFNO.ClH/c9-4-1-2-6-7(8(4)10)5(11)3-12-6;/h1-2,5H,3,11H2;1H
InChIKeyZLFZKGBTMBGWEL-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.29
Rot. Bonds

About 5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (PubChem CID 71742120) has the molecular formula C8H8Cl2FNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.

Molecular Properties

Compound Name5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
PubChem CID71742120
Molecular FormulaC8H8Cl2FNO
Molecular Weight224.06 g/mol
Exact Mass223.00
IUPAC Name5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2ccc(Cl)c(F)c21
InChIInChI=1S/C8H7ClFNO.ClH/c9-4-1-2-6-7(8(4)10)5(11)3-12-6;/h1-2,5H,3,11H2;1H
InChIKeyZLFZKGBTMBGWEL-UHFFFAOYSA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The IUPAC name of 5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (CID 71742120) is 5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.
What is the SMILES notation for 5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The canonical SMILES for 5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is Cl.NC1COc2ccc(Cl)c(F)c21.
What is the InChIKey of 5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The InChIKey is ZLFZKGBTMBGWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO.ClH/c9-4-1-2-6-7(8(4)10)5(11)3-12-6;/h1-2,5H,3,11H2;1H.
What are the key properties of 5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride has a molecular weight of 224.06 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is sourced from PubChem (CID 71742120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).