6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C10H10FNO2 — CID 90351330

IUPAC6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCc1cc(F)c2c(c1)OCCC(=O)N2
InChIInChI=1S/C10H10FNO2/c1-6-4-7(11)10-8(5-6)14-3-2-9(13)12-10/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeySGTNDHOZVVPFPO-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.86
Rot. Bonds

About 6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one

6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 90351330) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID90351330
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESCc1cc(F)c2c(c1)OCCC(=O)N2
InChIInChI=1S/C10H10FNO2/c1-6-4-7(11)10-8(5-6)14-3-2-9(13)12-10/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeySGTNDHOZVVPFPO-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 90351330) is 6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is Cc1cc(F)c2c(c1)OCCC(=O)N2.
What is the InChIKey of 6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is SGTNDHOZVVPFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-6-4-7(11)10-8(5-6)14-3-2-9(13)12-10/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 195.19 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 90351330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).