1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone

C14H8Br3FO2 — CID 63566889

IUPAC1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
SMILESO=C(COc1c(Br)cc(Br)cc1Br)c1cccc(F)c1
InChIInChI=1S/C14H8Br3FO2/c15-9-5-11(16)14(12(17)6-9)20-7-13(19)8-2-1-3-10(18)4-8/h1-6H,7H2
InChIKeyOAZSXYVLIKFEPY-UHFFFAOYSA-N
MW466.93 g/mol
LogP5.37
Rot. Bonds4

About 1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone

1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone (PubChem CID 63566889) has the molecular formula C14H8Br3FO2 and a molecular weight of 466.93 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
PubChem CID63566889
Molecular FormulaC14H8Br3FO2
Molecular Weight466.93 g/mol
Exact Mass463.81
IUPAC Name1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
SMILESO=C(COc1c(Br)cc(Br)cc1Br)c1cccc(F)c1
InChIInChI=1S/C14H8Br3FO2/c15-9-5-11(16)14(12(17)6-9)20-7-13(19)8-2-1-3-10(18)4-8/h1-6H,7H2
InChIKeyOAZSXYVLIKFEPY-UHFFFAOYSA-N
XLogP5.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.93
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60665300
1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 103603982
2-(2-bromo-6-nitrophenoxy)-1-(3-fluorophenyl)ethanone
CID 81496683
1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60722971
2-(2,6-dibromophenoxy)-1-phenylethanone
CID 60593987
2-(3-chloro-4-fluorophenoxy)-1-(3-fluorophenyl)ethanone
CID 60675294
2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
CID 8914654
[2-(4-bromophenyl)-2-oxoethyl] 3-fluorobenzoate
CID 19132570
[4-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
CID 6247206
1-(3-fluorophenyl)-2-quinolin-8-yloxyethanone
CID 43226497
1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43612412
2-(3-bromo-5-fluorophenoxy)-1-phenylethanone
CID 81332556

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone (CID 63566889) is 1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone is O=C(COc1c(Br)cc(Br)cc1Br)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone?
The InChIKey is OAZSXYVLIKFEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br3FO2/c15-9-5-11(16)14(12(17)6-9)20-7-13(19)8-2-1-3-10(18)4-8/h1-6H,7H2.
What are the key properties of 1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone?
1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone has a molecular weight of 466.93 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone is sourced from PubChem (CID 63566889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).