4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

C8H8ClF2NO — CID 75480738

IUPAC4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2cc(F)cc(F)c21
InChIInChI=1S/C8H7F2NO.ClH/c9-4-1-5(10)8-6(11)3-12-7(8)2-4;/h1-2,6H,3,11H2;1H
InChIKeyOODMSVZNIGSFQH-UHFFFAOYSA-N
MW207.61 g/mol
LogP1.78
Rot. Bonds

About 4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (PubChem CID 75480738) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.

Molecular Properties

Compound Name4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
PubChem CID75480738
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2cc(F)cc(F)c21
InChIInChI=1S/C8H7F2NO.ClH/c9-4-1-5(10)8-6(11)3-12-7(8)2-4;/h1-2,6H,3,11H2;1H
InChIKeyOODMSVZNIGSFQH-UHFFFAOYSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The IUPAC name of 4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (CID 75480738) is 4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.
What is the SMILES notation for 4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The canonical SMILES for 4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is Cl.NC1COc2cc(F)cc(F)c21.
What is the InChIKey of 4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The InChIKey is OODMSVZNIGSFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO.ClH/c9-4-1-5(10)8-6(11)3-12-7(8)2-4;/h1-2,6H,3,11H2;1H.
What are the key properties of 4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride has a molecular weight of 207.61 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is sourced from PubChem (CID 75480738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).