1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

C11H10F3NO2 — CID 97226753

IUPAC1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESCC(=O)N1CCOc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H10F3NO2/c1-7(16)15-4-5-17-10-3-2-8(6-9(10)15)11(12,13)14/h2-3,6H,4-5H2,1H3
InChIKeyGVQOWGFOLGMCAD-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.45
Rot. Bonds

About 1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (PubChem CID 97226753) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
PubChem CID97226753
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESCC(=O)N1CCOc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H10F3NO2/c1-7(16)15-4-5-17-10-3-2-8(6-9(10)15)11(12,13)14/h2-3,6H,4-5H2,1H3
InChIKeyGVQOWGFOLGMCAD-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]pyrrolidin-1-yl]ethanone
CID 86819193
N-[(2R)-3-methyl-1-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butan-2-yl]acetamide
CID 100694440
1-(6-hydroxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 10679323
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 12510541
4-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519421
2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 166228873
1-methyl-4-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]pyridin-2-one
CID 71850680
4-acetyl-2,3-dihydro-1,4-benzoxazine-6-sulfonyl chloride
CID 25219434
(1-propylpyrazol-4-yl)-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 86786615
2-methyl-1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-2-ol
CID 117236068
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide
CID 110412787

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The IUPAC name of 1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (CID 97226753) is 1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.
What is the SMILES notation for 1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The canonical SMILES for 1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is CC(=O)N1CCOc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The InChIKey is GVQOWGFOLGMCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-7(16)15-4-5-17-10-3-2-8(6-9(10)15)11(12,13)14/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone has a molecular weight of 245.20 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is sourced from PubChem (CID 97226753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).