2-(3-bromo-5-fluorophenoxy)-1-phenylethanone

C14H10BrFO2 — CID 81332556

IUPAC2-(3-bromo-5-fluorophenoxy)-1-phenylethanone
SMILESO=C(COc1cc(F)cc(Br)c1)c1ccccc1
InChIInChI=1S/C14H10BrFO2/c15-11-6-12(16)8-13(7-11)18-9-14(17)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyUFFMETWUSNNEMJ-UHFFFAOYSA-N
MW309.13 g/mol
LogP3.85
Rot. Bonds4

About 2-(3-bromo-5-fluorophenoxy)-1-phenylethanone

2-(3-bromo-5-fluorophenoxy)-1-phenylethanone (PubChem CID 81332556) has the molecular formula C14H10BrFO2 and a molecular weight of 309.13 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-1-phenylethanone
PubChem CID81332556
Molecular FormulaC14H10BrFO2
Molecular Weight309.13 g/mol
Exact Mass307.98
IUPAC Name2-(3-bromo-5-fluorophenoxy)-1-phenylethanone
SMILESO=C(COc1cc(F)cc(Br)c1)c1ccccc1
InChIInChI=1S/C14H10BrFO2/c15-11-6-12(16)8-13(7-11)18-9-14(17)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyUFFMETWUSNNEMJ-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

2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone
CID 81331658
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 81315134
2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 81315368
1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone
CID 81315367
4-(3-bromo-5-fluorophenoxy)-3-oxobutanoic acid
CID 166063563
2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460808
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
4-[2-(3-bromo-5-fluorophenoxy)ethoxy]benzoic acid
CID 81313770
2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 81331985
2-(3-bromo-5-fluorophenoxy)-N-(2-methylphenyl)acetamide
CID 80964387
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-1-phenylethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-1-phenylethanone (CID 81332556) is 2-(3-bromo-5-fluorophenoxy)-1-phenylethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-1-phenylethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-1-phenylethanone is O=C(COc1cc(F)cc(Br)c1)c1ccccc1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-1-phenylethanone?
The InChIKey is UFFMETWUSNNEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO2/c15-11-6-12(16)8-13(7-11)18-9-14(17)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-1-phenylethanone?
2-(3-bromo-5-fluorophenoxy)-1-phenylethanone 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 2-(3-bromo-5-fluorophenoxy)-1-phenylethanone is sourced from PubChem (CID 81332556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).