4,4-difluoro-3H-1-benzazepin-5-one

C10H7F2NO — CID 70172154

IUPAC4,4-difluoro-3H-1-benzazepin-5-one
SMILESO=C1c2ccccc2N=CCC1(F)F
InChIInChI=1S/C10H7F2NO/c11-10(12)5-6-13-8-4-2-1-3-7(8)9(10)14/h1-4,6H,5H2
InChIKeyQHZBZPPGVCIEMH-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.61
Rot. Bonds

About 4,4-difluoro-3H-1-benzazepin-5-one

4,4-difluoro-3H-1-benzazepin-5-one (PubChem CID 70172154) has the molecular formula C10H7F2NO and a molecular weight of 195.17 g/mol. Its IUPAC name is 4,4-difluoro-3H-1-benzazepin-5-one.

Molecular Properties

Compound Name4,4-difluoro-3H-1-benzazepin-5-one
PubChem CID70172154
Molecular FormulaC10H7F2NO
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name4,4-difluoro-3H-1-benzazepin-5-one
SMILESO=C1c2ccccc2N=CCC1(F)F
InChIInChI=1S/C10H7F2NO/c11-10(12)5-6-13-8-4-2-1-3-7(8)9(10)14/h1-4,6H,5H2
InChIKeyQHZBZPPGVCIEMH-UHFFFAOYSA-N
XLogP2.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3H-1-benzazepin-5-one?
The IUPAC name of 4,4-difluoro-3H-1-benzazepin-5-one (CID 70172154) is 4,4-difluoro-3H-1-benzazepin-5-one.
What is the SMILES notation for 4,4-difluoro-3H-1-benzazepin-5-one?
The canonical SMILES for 4,4-difluoro-3H-1-benzazepin-5-one is O=C1c2ccccc2N=CCC1(F)F.
What is the InChIKey of 4,4-difluoro-3H-1-benzazepin-5-one?
The InChIKey is QHZBZPPGVCIEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO/c11-10(12)5-6-13-8-4-2-1-3-7(8)9(10)14/h1-4,6H,5H2.
What are the key properties of 4,4-difluoro-3H-1-benzazepin-5-one?
4,4-difluoro-3H-1-benzazepin-5-one has a molecular weight of 195.17 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3H-1-benzazepin-5-one is sourced from PubChem (CID 70172154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).