bromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene

C13H9BrF2OZn — CID 146001900

IUPACbromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene
SMILESFc1ccc(OCc2cc[c-]cc2)cc1F.[Zn+]Br
InChIInChI=1S/C13H9F2O.BrH.Zn/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10;;/h2-8H,9H2;1H;/q-1;;+2/p-1
InChIKeyRXOOVAKYBLWDKY-UHFFFAOYSA-M
MW364.50 g/mol
LogP4.19
Rot. Bonds3

About bromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene

bromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene (PubChem CID 146001900) has the molecular formula C13H9BrF2OZn and a molecular weight of 364.50 g/mol. Its IUPAC name is bromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene.

Molecular Properties

Compound Namebromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene
PubChem CID146001900
Molecular FormulaC13H9BrF2OZn
Molecular Weight364.50 g/mol
Exact Mass361.91
IUPAC Namebromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene
SMILESFc1ccc(OCc2cc[c-]cc2)cc1F.[Zn+]Br
InChIInChI=1S/C13H9F2O.BrH.Zn/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10;;/h2-8H,9H2;1H;/q-1;;+2/p-1
InChIKeyRXOOVAKYBLWDKY-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

magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide
CID 91656484
bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene
CID 146002157
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
bromozinc(1+);2-chloro-4-fluoro-1-(phenylmethoxy)benzene
CID 146002169
magnesium;1,4-difluoro-2-(phenylmethoxy)benzene;bromide
CID 91655643
[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
CID 43554727
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
CID 82919254
2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile
CID 102674498
magnesium;1,2-difluoro-4-(phenoxymethyl)benzene;bromide
CID 91657583
1-[3-[(3,4-difluorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457584
1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 82727211

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene?
The IUPAC name of bromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene (CID 146001900) is bromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene.
What is the SMILES notation for bromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene?
The canonical SMILES for bromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene is Fc1ccc(OCc2cc[c-]cc2)cc1F.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene?
The InChIKey is RXOOVAKYBLWDKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9F2O.BrH.Zn/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10;;/h2-8H,9H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene?
bromozinc(1+);1,2-difluoro-4-(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+);1,2-difluoro-4-(phenylmethoxy)benzene is sourced from PubChem (CID 146001900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).