bromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene

C13H10BrFOZn — CID 146001807

IUPACbromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene
SMILESFc1ccccc1OCc1c[c-]ccc1.[Zn+]Br
InChIInChI=1S/C13H10FO.BrH.Zn/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;;/h1-2,4-9H,10H2;1H;/q-1;;+2/p-1
InChIKeyKXWVCMUMFXRHHX-UHFFFAOYSA-M
MW346.51 g/mol
LogP4.05
Rot. Bonds3

About bromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene

bromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene (PubChem CID 146001807) has the molecular formula C13H10BrFOZn and a molecular weight of 346.51 g/mol. Its IUPAC name is bromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene.

Molecular Properties

Compound Namebromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene
PubChem CID146001807
Molecular FormulaC13H10BrFOZn
Molecular Weight346.51 g/mol
Exact Mass343.92
IUPAC Namebromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene
SMILESFc1ccccc1OCc1c[c-]ccc1.[Zn+]Br
InChIInChI=1S/C13H10FO.BrH.Zn/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;;/h1-2,4-9H,10H2;1H;/q-1;;+2/p-1
InChIKeyKXWVCMUMFXRHHX-UHFFFAOYSA-M
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide
CID 91656298
magnesium;1-(phenylmethoxy)-2-prop-2-enylbenzene;bromide
CID 146001543
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
bromozinc(1+);4-chloro-2-fluoro-1-(phenylmethoxy)benzene
CID 146002358
1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700
4-[(2-fluorophenoxy)methyl]-1H-pyrazole
CID 130569602
bromozinc(1+);1-chloro-3-(phenoxymethyl)benzene
CID 146001800
3-[(2-fluorophenoxy)methyl]benzenecarbothioamide
CID 24707271
4-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464594
(2-fluoro-6-phenylmethoxyphenyl)methanamine
CID 23071556
bromozinc(1+);2-chloro-4-fluoro-1-(phenylmethoxy)benzene
CID 146002169
3-(2-fluorophenoxy)propane-1-thiol
CID 79001947

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene?
The IUPAC name of bromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene (CID 146001807) is bromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene.
What is the SMILES notation for bromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene?
The canonical SMILES for bromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene is Fc1ccccc1OCc1c[c-]ccc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene?
The InChIKey is KXWVCMUMFXRHHX-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10FO.BrH.Zn/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;;/h1-2,4-9H,10H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene?
bromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene has a molecular weight of 346.51 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-fluoro-2-(phenylmethoxy)benzene is sourced from PubChem (CID 146001807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).