8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C9H7ClFNO2 — CID 82230687

IUPAC8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESO=C1CCOc2cc(Cl)c(F)cc2N1
InChIInChI=1S/C9H7ClFNO2/c10-5-3-8-7(4-6(5)11)12-9(13)1-2-14-8/h3-4H,1-2H2,(H,12,13)
InChIKeyIEDGUMRQJKJXLO-UHFFFAOYSA-N
MW215.61 g/mol
LogP2.20
Rot. Bonds

About 8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one

8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 82230687) has the molecular formula C9H7ClFNO2 and a molecular weight of 215.61 g/mol. Its IUPAC name is 8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID82230687
Molecular FormulaC9H7ClFNO2
Molecular Weight215.61 g/mol
Exact Mass215.01
IUPAC Name8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESO=C1CCOc2cc(Cl)c(F)cc2N1
InChIInChI=1S/C9H7ClFNO2/c10-5-3-8-7(4-6(5)11)12-9(13)1-2-14-8/h3-4H,1-2H2,(H,12,13)
InChIKeyIEDGUMRQJKJXLO-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.61
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-difluoro-4H-1,4-benzoxazin-3-one
CID 46930344
8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carbonitrile
CID 90351505
7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82490641
2-chloro-6-fluoro-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]benzamide
CID 110783795
7-(2-chloroethyl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82473509
7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82230635
7-chloro-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 79017605
8-methoxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 90351253
8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 130009664
4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-8-carbonitrile
CID 84661392
7-amino-6-(3-chloro-4-fluoroanilino)-4H-1,4-benzoxazin-3-one
CID 43479306
N-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110764030

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 82230687) is 8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one is O=C1CCOc2cc(Cl)c(F)cc2N1.
What is the InChIKey of 8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is IEDGUMRQJKJXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO2/c10-5-3-8-7(4-6(5)11)12-9(13)1-2-14-8/h3-4H,1-2H2,(H,12,13).
What are the key properties of 8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 215.61 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82230687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).