6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C11H12FNO2 — CID 141142809

IUPAC6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCCc1c(F)ccc2c1NC(=O)CCO2
InChIInChI=1S/C11H12FNO2/c1-2-7-8(12)3-4-9-11(7)13-10(14)5-6-15-9/h3-4H,2,5-6H2,1H3,(H,13,14)
InChIKeyYREKPTJAMOWIKH-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.11
Rot. Bonds1

About 6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one

6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 141142809) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID141142809
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCCc1c(F)ccc2c1NC(=O)CCO2
InChIInChI=1S/C11H12FNO2/c1-2-7-8(12)3-4-9-11(7)13-10(14)5-6-15-9/h3-4H,2,5-6H2,1H3,(H,13,14)
InChIKeyYREKPTJAMOWIKH-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 115098323
8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 130009664
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one
CID 117284369
8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82230687
2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid
CID 117285919
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
7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82490641
3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid
CID 117299962
5-fluoro-4H-1,4-benzoxazin-3-one
CID 54758768
7-(2-chloroethyl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82473509
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)cyclopentan-1-amine
CID 117315938

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 141142809) is 6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one is CCc1c(F)ccc2c1NC(=O)CCO2.
What is the InChIKey of 6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is YREKPTJAMOWIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-2-7-8(12)3-4-9-11(7)13-10(14)5-6-15-9/h3-4H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 209.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 141142809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).