1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

C11H12FNO2 — CID 126795372

IUPAC1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
SMILESCC(=O)N1CC(C)Oc2c(F)cccc21
InChIInChI=1S/C11H12FNO2/c1-7-6-13(8(2)14)10-5-3-4-9(12)11(10)15-7/h3-5,7H,6H2,1-2H3
InChIKeyQFYVKVSXHXQAQZ-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.96
Rot. Bonds

About 1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone (PubChem CID 126795372) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone.

Molecular Properties

Compound Name1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
PubChem CID126795372
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
SMILESCC(=O)N1CC(C)Oc2c(F)cccc21
InChIInChI=1S/C11H12FNO2/c1-7-6-13(8(2)14)10-5-3-4-9(12)11(10)15-7/h3-5,7H,6H2,1-2H3
InChIKeyQFYVKVSXHXQAQZ-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 124619369
[(2S)-8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 99822617
1-(8-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-3-fluorobutan-1-one
CID 166309118
3-[4-[(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]propanoic acid
CID 146076103
8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine
CID 120849021
8-fluoro-2-methyl-4-[4-(trifluoromethyl)cyclohexyl]sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 154744624
1-[6-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 82096690
4-acetyl-N-(3-fluoro-4-methylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 20902839
(8-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,4-dimethylpyrimidin-5-yl)methanone
CID 102562706
(1-tert-butyltriazol-4-yl)-(8-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 146128308
4-(4-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-oxobutanoic acid
CID 82533666
(2S)-4-acetyl-N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41095791

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The IUPAC name of 1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone (CID 126795372) is 1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone.
What is the SMILES notation for 1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The canonical SMILES for 1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone is CC(=O)N1CC(C)Oc2c(F)cccc21.
What is the InChIKey of 1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
The InChIKey is QFYVKVSXHXQAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-7-6-13(8(2)14)10-5-3-4-9(12)11(10)15-7/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone?
1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone has a molecular weight of 209.22 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone is sourced from PubChem (CID 126795372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).