6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione

C10H5F2NO3 — CID 15029646

IUPAC6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione
SMILESO=c1cc(O)c2c(F)cc(F)cc2[nH]c1=O
InChIInChI=1S/C10H5F2NO3/c11-4-1-5(12)9-6(2-4)13-10(16)8(15)3-7(9)14/h1-3,14H,(H,13,15,16)
InChIKeyXVRSEPVMAQJFQM-UHFFFAOYSA-N
MW225.15 g/mol
LogP0.87
Rot. Bonds

About 6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione

6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione (PubChem CID 15029646) has the molecular formula C10H5F2NO3 and a molecular weight of 225.15 g/mol. Its IUPAC name is 6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione.

Molecular Properties

Compound Name6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione
PubChem CID15029646
Molecular FormulaC10H5F2NO3
Molecular Weight225.15 g/mol
Exact Mass225.02
IUPAC Name6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione
SMILESO=c1cc(O)c2c(F)cc(F)cc2[nH]c1=O
InChIInChI=1S/C10H5F2NO3/c11-4-1-5(12)9-6(2-4)13-10(16)8(15)3-7(9)14/h1-3,14H,(H,13,15,16)
InChIKeyXVRSEPVMAQJFQM-UHFFFAOYSA-N
XLogP0.87
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.15
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione?
The IUPAC name of 6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione (CID 15029646) is 6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione.
What is the SMILES notation for 6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione?
The canonical SMILES for 6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione is O=c1cc(O)c2c(F)cc(F)cc2[nH]c1=O.
What is the InChIKey of 6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione?
The InChIKey is XVRSEPVMAQJFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO3/c11-4-1-5(12)9-6(2-4)13-10(16)8(15)3-7(9)14/h1-3,14H,(H,13,15,16).
What are the key properties of 6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione?
6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione has a molecular weight of 225.15 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-5-hydroxy-1H-1-benzazepine-2,3-dione is sourced from PubChem (CID 15029646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).