bromozinc(1+);1-butoxy-4-fluorobenzene-6-ide

C10H12BrFOZn — CID 146001975

IUPACbromozinc(1+);1-butoxy-4-fluorobenzene-6-ide
SMILESCCCCOc1[c-]cc(F)cc1.[Zn+]Br
InChIInChI=1S/C10H12FO.BrH.Zn/c1-2-3-8-12-10-6-4-9(11)5-7-10;;/h4-6H,2-3,8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyFXWXRJRJUCRKMT-UHFFFAOYSA-M
MW312.50 g/mol
LogP3.65
Rot. Bonds4

About bromozinc(1+);1-butoxy-4-fluorobenzene-6-ide

bromozinc(1+);1-butoxy-4-fluorobenzene-6-ide (PubChem CID 146001975) has the molecular formula C10H12BrFOZn and a molecular weight of 312.50 g/mol. Its IUPAC name is bromozinc(1+);1-butoxy-4-fluorobenzene-6-ide.

Molecular Properties

Compound Namebromozinc(1+);1-butoxy-4-fluorobenzene-6-ide
PubChem CID146001975
Molecular FormulaC10H12BrFOZn
Molecular Weight312.50 g/mol
Exact Mass309.93
IUPAC Namebromozinc(1+);1-butoxy-4-fluorobenzene-6-ide
SMILESCCCCOc1[c-]cc(F)cc1.[Zn+]Br
InChIInChI=1S/C10H12FO.BrH.Zn/c1-2-3-8-12-10-6-4-9(11)5-7-10;;/h4-6H,2-3,8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyFXWXRJRJUCRKMT-UHFFFAOYSA-M
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bromozinc(1+);1-butoxy-4-fluorobenzene-6-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bromozinc(1+);1-methyl-4-propoxybenzene-5-ide
CID 133144737
bromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide
CID 146002008
bromozinc(1+);butoxybenzene
CID 133144520
2-butoxy-6-fluoroaniline
CID 60790205
1,3-dibutoxy-2-methylbenzene
CID 14475066
magnesium;2-methylpropane;octoxybenzene;hydrobromide
CID 87198466
bromozinc(1+);1-pentoxy-3-(trifluoromethoxy)benzene-6-ide
CID 146002038
butyl-[4-(4-fluorophenoxy)butyl]azanium
CID 2249066
2-butoxy-7-fluorophenanthrene
CID 18377931
1-chloro-4-fluoro-2-octoxybenzene
CID 114264358
(2-butoxy-6-fluorophenyl)-dimethylborane
CID 67978515
2-[4-(4-butoxyphenyl)phenyl]-6-fluoro-4H-quinolin-4-ide;cobalt
CID 153380334

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-butoxy-4-fluorobenzene-6-ide?
The IUPAC name of bromozinc(1+);1-butoxy-4-fluorobenzene-6-ide (CID 146001975) is bromozinc(1+);1-butoxy-4-fluorobenzene-6-ide.
What is the SMILES notation for bromozinc(1+);1-butoxy-4-fluorobenzene-6-ide?
The canonical SMILES for bromozinc(1+);1-butoxy-4-fluorobenzene-6-ide is CCCCOc1[c-]cc(F)cc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-butoxy-4-fluorobenzene-6-ide?
The InChIKey is FXWXRJRJUCRKMT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12FO.BrH.Zn/c1-2-3-8-12-10-6-4-9(11)5-7-10;;/h4-6H,2-3,8H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-butoxy-4-fluorobenzene-6-ide?
bromozinc(1+);1-butoxy-4-fluorobenzene-6-ide has a molecular weight of 312.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-butoxy-4-fluorobenzene-6-ide is sourced from PubChem (CID 146001975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).