3,4-difluoro-1-benzazepin-2-one

C10H5F2NO — CID 19706833

IUPAC3,4-difluoro-1-benzazepin-2-one
SMILESO=c1nc2ccccc2cc(F)c1F
InChIInChI=1S/C10H5F2NO/c11-7-5-6-3-1-2-4-8(6)13-10(14)9(7)12/h1-5H
InChIKeyMSMSIGICVMBKHC-UHFFFAOYSA-N
MW193.15 g/mol
LogP1.87
Rot. Bonds

About 3,4-difluoro-1-benzazepin-2-one

3,4-difluoro-1-benzazepin-2-one (PubChem CID 19706833) has the molecular formula C10H5F2NO and a molecular weight of 193.15 g/mol. Its IUPAC name is 3,4-difluoro-1-benzazepin-2-one.

Molecular Properties

Compound Name3,4-difluoro-1-benzazepin-2-one
PubChem CID19706833
Molecular FormulaC10H5F2NO
Molecular Weight193.15 g/mol
Exact Mass193.03
IUPAC Name3,4-difluoro-1-benzazepin-2-one
SMILESO=c1nc2ccccc2cc(F)c1F
InChIInChI=1S/C10H5F2NO/c11-7-5-6-3-1-2-4-8(6)13-10(14)9(7)12/h1-5H
InChIKeyMSMSIGICVMBKHC-UHFFFAOYSA-N
XLogP1.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-1-benzazepin-2-one?
The IUPAC name of 3,4-difluoro-1-benzazepin-2-one (CID 19706833) is 3,4-difluoro-1-benzazepin-2-one.
What is the SMILES notation for 3,4-difluoro-1-benzazepin-2-one?
The canonical SMILES for 3,4-difluoro-1-benzazepin-2-one is O=c1nc2ccccc2cc(F)c1F.
What is the InChIKey of 3,4-difluoro-1-benzazepin-2-one?
The InChIKey is MSMSIGICVMBKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NO/c11-7-5-6-3-1-2-4-8(6)13-10(14)9(7)12/h1-5H.
What are the key properties of 3,4-difluoro-1-benzazepin-2-one?
3,4-difluoro-1-benzazepin-2-one has a molecular weight of 193.15 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-1-benzazepin-2-one is sourced from PubChem (CID 19706833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).