[5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite

C14H9Br2FO2 — CID 142226564

IUPAC[5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite
SMILESO=C(c1ccc(F)cc1)c1ccc(Br)cc1COBr
InChIInChI=1S/C14H9Br2FO2/c15-11-3-6-13(10(7-11)8-19-16)14(18)9-1-4-12(17)5-2-9/h1-7H,8H2
InChIKeyJZAWIXGHTKSQPA-UHFFFAOYSA-N
MW388.03 g/mol
LogP4.65
Rot. Bonds4

About [5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite

[5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite (PubChem CID 142226564) has the molecular formula C14H9Br2FO2 and a molecular weight of 388.03 g/mol. Its IUPAC name is [5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite.

Molecular Properties

Compound Name[5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite
PubChem CID142226564
Molecular FormulaC14H9Br2FO2
Molecular Weight388.03 g/mol
Exact Mass385.90
IUPAC Name[5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite
SMILESO=C(c1ccc(F)cc1)c1ccc(Br)cc1COBr
InChIInChI=1S/C14H9Br2FO2/c15-11-3-6-13(10(7-11)8-19-16)14(18)9-1-4-12(17)5-2-9/h1-7H,8H2
InChIKeyJZAWIXGHTKSQPA-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.03
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 256062
7-Bromo-4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione
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(4-Bromophenyl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 2358415
Sodium 14-bromo-2-oxotricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carboxylate
CID 90678865
2-Benzoyl-4-bromobenzoic acid
CID 346734
(3R)-6-bromo-3-(fluoromethyl)-3-phenyl-2-benzofuran-1-one
CID 122202409
5-bromo-3-(2,6-difluorophenyl)-3H-2-benzofuran-1-one
CID 154717241
(2S)-2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxy-1-phenylethanone
CID 166441758
4,4'-Dibromodiphenic acid
CID 12808220
Ethyl 4-bromo-2-(5-bromo-2-ethoxycarbonylphenyl)benzoate
CID 23216506
Magnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide
CID 23403100
5-Bromo-[1,1'-biphenyl]-2-carboxylic acid
CID 23436108

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite?
The IUPAC name of [5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite (CID 142226564) is [5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite.
What is the SMILES notation for [5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite?
The canonical SMILES for [5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite is O=C(c1ccc(F)cc1)c1ccc(Br)cc1COBr.
What is the InChIKey of [5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite?
The InChIKey is JZAWIXGHTKSQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2FO2/c15-11-3-6-13(10(7-11)8-19-16)14(18)9-1-4-12(17)5-2-9/h1-7H,8H2.
What are the key properties of [5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite?
[5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite has a molecular weight of 388.03 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite is sourced from PubChem (CID 142226564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).