8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one

C10H9F2NO2 — CID 10798628

IUPAC8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESNc1cc(F)c(F)c2c1C(=O)CCC2O
InChIInChI=1S/C10H9F2NO2/c11-4-3-5(13)8-6(14)1-2-7(15)9(8)10(4)12/h3,7,15H,1-2,13H2
InChIKeyVBAGNWOFNGBISE-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.56
Rot. Bonds

About 8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one

8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10798628) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10798628
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESNc1cc(F)c(F)c2c1C(=O)CCC2O
InChIInChI=1S/C10H9F2NO2/c11-4-3-5(13)8-6(14)1-2-7(15)9(8)10(4)12/h3,7,15H,1-2,13H2
InChIKeyVBAGNWOFNGBISE-UHFFFAOYSA-N
XLogP1.56
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one (CID 10798628) is 8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one is Nc1cc(F)c(F)c2c1C(=O)CCC2O.
What is the InChIKey of 8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is VBAGNWOFNGBISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-4-3-5(13)8-6(14)1-2-7(15)9(8)10(4)12/h3,7,15H,1-2,13H2.
What are the key properties of 8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 213.18 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5,6-difluoro-4-hydroxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10798628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).