1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one

C11H12FNO2 — CID 110639273

IUPAC1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
SMILESCCC(=O)N1CCOc2ccc(F)cc21
InChIInChI=1S/C11H12FNO2/c1-2-11(14)13-5-6-15-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3
InChIKeyICFTYYXGRYKELP-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.96
Rot. Bonds1

About 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one

1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one (PubChem CID 110639273) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
PubChem CID110639273
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
SMILESCCC(=O)N1CCOc2ccc(F)cc21
InChIInChI=1S/C11H12FNO2/c1-2-11(14)13-5-6-15-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3
InChIKeyICFTYYXGRYKELP-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

2-ethyl-1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one
CID 110639282
6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid
CID 91461591
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methoxyphenoxy)ethanone
CID 110639329
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(3-fluorophenoxy)ethanone
CID 110714309
1-[6-(2-aminopropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
CID 82340696
N-[2-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]benzamide
CID 110742366
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(3-methoxyphenyl)ethanone
CID 110714305
2-[3-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-3-oxopropyl]isoindole-1,3-dione
CID 110412198
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol
CID 117236074
4-ethyl-6-fluoro-2,3-dihydro-1,4-benzoxazine
CID 89030466
1-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)ethanone
CID 110639441
(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,3,4-trifluorophenyl)methanone
CID 110639332

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one?
The IUPAC name of 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one (CID 110639273) is 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one?
The canonical SMILES for 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one is CCC(=O)N1CCOc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one?
The InChIKey is ICFTYYXGRYKELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-2-11(14)13-5-6-15-10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one?
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one has a molecular weight of 209.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one is sourced from PubChem (CID 110639273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).