1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone

C14H10BrFO2 — CID 106644772

IUPAC1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)c1cccc(Br)c1F
InChIInChI=1S/C14H10BrFO2/c15-12-8-4-7-11(14(12)16)13(17)9-18-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyMMFJVTJADCKQJC-UHFFFAOYSA-N
MW309.13 g/mol
LogP3.85
Rot. Bonds4

About 1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone

1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone (PubChem CID 106644772) has the molecular formula C14H10BrFO2 and a molecular weight of 309.13 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone
PubChem CID106644772
Molecular FormulaC14H10BrFO2
Molecular Weight309.13 g/mol
Exact Mass307.98
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)c1cccc(Br)c1F
InChIInChI=1S/C14H10BrFO2/c15-12-8-4-7-11(14(12)16)13(17)9-18-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyMMFJVTJADCKQJC-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 106645011
3-amino-1-(3-bromo-2-fluorophenyl)propan-1-one
CID 106647099
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106267622
1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612917
1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone
CID 82716737
1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-one
CID 89480353
1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone
CID 22123529
1-(2-bromophenyl)-2-(4-nitrophenoxy)ethanone
CID 60625570
2-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805
2-(4-benzoylphenoxy)-1-(2-fluorophenyl)ethanone
CID 7717893
(3-bromo-2-fluorophenyl)-(4-butoxyphenyl)methanone
CID 106647389
(3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 107957126

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone (CID 106644772) is 1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone is O=C(COc1ccccc1)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone?
The InChIKey is MMFJVTJADCKQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO2/c15-12-8-4-7-11(14(12)16)13(17)9-18-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone?
1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone has a molecular weight of 309.13 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone is sourced from PubChem (CID 106644772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).