bromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene

C13H9BrF2OZn — CID 146002338

IUPACbromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene
SMILESFc1cccc(F)c1OCc1[c-]cccc1.[Zn+]Br
InChIInChI=1S/C13H9F2O.BrH.Zn/c14-11-7-4-8-12(15)13(11)16-9-10-5-2-1-3-6-10;;/h1-5,7-8H,9H2;1H;/q-1;;+2/p-1
InChIKeySOSFDYSZMFPKFI-UHFFFAOYSA-M
MW364.50 g/mol
LogP4.19
Rot. Bonds3

About bromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene

bromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene (PubChem CID 146002338) has the molecular formula C13H9BrF2OZn and a molecular weight of 364.50 g/mol. Its IUPAC name is bromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene.

Molecular Properties

Compound Namebromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene
PubChem CID146002338
Molecular FormulaC13H9BrF2OZn
Molecular Weight364.50 g/mol
Exact Mass361.91
IUPAC Namebromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene
SMILESFc1cccc(F)c1OCc1[c-]cccc1.[Zn+]Br
InChIInChI=1S/C13H9F2O.BrH.Zn/c14-11-7-4-8-12(15)13(11)16-9-10-5-2-1-3-6-10;;/h1-5,7-8H,9H2;1H;/q-1;;+2/p-1
InChIKeySOSFDYSZMFPKFI-UHFFFAOYSA-M
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 54.19
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

bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene
CID 146002159
1,3-difluoro-2-(fluoromethoxy)benzene
CID 140973526
3-(2,6-difluorophenoxy)propan-1-ol
CID 112728266
1,3-difluoro-2-[(4-iodophenyl)methoxy]benzene
CID 81269320
magnesium;1,2-dimethyl-4-(phenylmethoxy)benzene;bromide
CID 146001559
phenylmethylbenzene;tungsten(2+)
CID 23570247
2-bromo-1-[(2,6-difluorophenoxy)methyl]-4-fluorobenzene
CID 113220141
2-chloro-3-[(2,6-difluorophenoxy)methyl]pyridine
CID 78918861
6-(2,6-difluorophenoxy)hexan-1-amine
CID 68648906
2-(6-chlorohexoxy)-1,3-difluorobenzene
CID 81268506
2-chloro-5-[(2,6-difluorophenoxy)methyl]-1,3,4-thiadiazole
CID 81269582
2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine
CID 78987592

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene?
The IUPAC name of bromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene (CID 146002338) is bromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene.
What is the SMILES notation for bromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene?
The canonical SMILES for bromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene is Fc1cccc(F)c1OCc1[c-]cccc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene?
The InChIKey is SOSFDYSZMFPKFI-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9F2O.BrH.Zn/c14-11-7-4-8-12(15)13(11)16-9-10-5-2-1-3-6-10;;/h1-5,7-8H,9H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene?
bromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene has a molecular weight of 364.50 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene is sourced from PubChem (CID 146002338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).