1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone

C15H9BrF3NO2 — CID 170632621

IUPAC1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone
SMILESCC(=O)N1c2ccc(C(F)(F)F)cc2Oc2ccc(Br)cc21
InChIInChI=1S/C15H9BrF3NO2/c1-8(21)20-11-4-2-9(15(17,18)19)6-14(11)22-13-5-3-10(16)7-12(13)20/h2-7H,1H3
InChIKeyACWKIDBAEYQLDM-UHFFFAOYSA-N
MW372.14 g/mol
LogP5.26
Rot. Bonds

About 1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone

1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone (PubChem CID 170632621) has the molecular formula C15H9BrF3NO2 and a molecular weight of 372.14 g/mol. Its IUPAC name is 1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone.

Molecular Properties

Compound Name1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone
PubChem CID170632621
Molecular FormulaC15H9BrF3NO2
Molecular Weight372.14 g/mol
Exact Mass370.98
IUPAC Name1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone
SMILESCC(=O)N1c2ccc(C(F)(F)F)cc2Oc2ccc(Br)cc21
InChIInChI=1S/C15H9BrF3NO2/c1-8(21)20-11-4-2-9(15(17,18)19)6-14(11)22-13-5-3-10(16)7-12(13)20/h2-7H,1H3
InChIKeyACWKIDBAEYQLDM-UHFFFAOYSA-N
XLogP5.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.14
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone?
The IUPAC name of 1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone (CID 170632621) is 1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone.
What is the SMILES notation for 1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone?
The canonical SMILES for 1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone is CC(=O)N1c2ccc(C(F)(F)F)cc2Oc2ccc(Br)cc21.
What is the InChIKey of 1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone?
The InChIKey is ACWKIDBAEYQLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3NO2/c1-8(21)20-11-4-2-9(15(17,18)19)6-14(11)22-13-5-3-10(16)7-12(13)20/h2-7H,1H3.
What are the key properties of 1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone?
1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone has a molecular weight of 372.14 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-7-(trifluoromethyl)phenoxazin-10-yl]ethanone is sourced from PubChem (CID 170632621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).