bromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide

C11H14BrFOZn — CID 146002008

IUPACbromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide
SMILESCCCCCOc1c[c-]cc(F)c1.[Zn+]Br
InChIInChI=1S/C11H14FO.BrH.Zn/c1-2-3-4-8-13-11-7-5-6-10(12)9-11;;/h6-7,9H,2-4,8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyVSCCMMOVBWOEQK-UHFFFAOYSA-M
MW326.52 g/mol
LogP4.04
Rot. Bonds5

About bromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide

bromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide (PubChem CID 146002008) has the molecular formula C11H14BrFOZn and a molecular weight of 326.52 g/mol. Its IUPAC name is bromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide.

Molecular Properties

Compound Namebromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide
PubChem CID146002008
Molecular FormulaC11H14BrFOZn
Molecular Weight326.52 g/mol
Exact Mass323.95
IUPAC Namebromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide
SMILESCCCCCOc1c[c-]cc(F)c1.[Zn+]Br
InChIInChI=1S/C11H14FO.BrH.Zn/c1-2-3-4-8-13-11-7-5-6-10(12)9-11;;/h6-7,9H,2-4,8H2,1H3;1H;/q-1;;+2/p-1
InChIKeyVSCCMMOVBWOEQK-UHFFFAOYSA-M
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 54.04
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'}

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Related Compounds

magnesium;1-fluoro-3-propoxybenzene-5-ide;bromide
CID 91655532
1-bromo-3-fluoro-5-pentoxybenzene
CID 79015676
bromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide
CID 146001988
3-fluoro-5-pentoxybenzenethiol
CID 91655201
1,4-dipentoxybenzene
CID 18314717
1-(3-fluoro-5-pentoxyphenyl)ethanol
CID 91657933
(1S)-1-(3-fluoro-5-pentoxyphenyl)ethanol
CID 97294401
bromozinc(1+);1-butoxy-4-fluorobenzene-6-ide
CID 146001975
bromozinc(1+);butoxybenzene
CID 133144520
1-bromo-2-fluoro-4-tetradecoxybenzene
CID 23354727
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-di(tetradecoxy)benzene
CID 57023723

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide?
The IUPAC name of bromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide (CID 146002008) is bromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide.
What is the SMILES notation for bromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide?
The canonical SMILES for bromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide is CCCCCOc1c[c-]cc(F)c1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide?
The InChIKey is VSCCMMOVBWOEQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14FO.BrH.Zn/c1-2-3-4-8-13-11-7-5-6-10(12)9-11;;/h6-7,9H,2-4,8H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide?
bromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide has a molecular weight of 326.52 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-fluoro-3-pentoxybenzene-5-ide is sourced from PubChem (CID 146002008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).