magnesium;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide

C14H11BrF2MgO — CID 91655875

IUPACmagnesium;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide
SMILESCc1[c-]ccc(OCc2cc(F)cc(F)c2)c1.[Br-].[Mg+2]
InChIInChI=1S/C14H11F2O.BrH.Mg/c1-10-3-2-4-14(5-10)17-9-11-6-12(15)8-13(16)7-11;;/h2,4-8H,9H2,1H3;1H;/q-1;;+2/p-1
InChIKeyFEIYFFZHSDIXDD-UHFFFAOYSA-M
MW337.45 g/mol
LogP0.28
Rot. Bonds3

About magnesium;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide

magnesium;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide (PubChem CID 91655875) has the molecular formula C14H11BrF2MgO and a molecular weight of 337.45 g/mol. Its IUPAC name is magnesium;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide.

Molecular Properties

Compound Namemagnesium;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide
PubChem CID91655875
Molecular FormulaC14H11BrF2MgO
Molecular Weight337.45 g/mol
Exact Mass335.98
IUPAC Namemagnesium;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide
SMILESCc1[c-]ccc(OCc2cc(F)cc(F)c2)c1.[Br-].[Mg+2]
InChIInChI=1S/C14H11F2O.BrH.Mg/c1-10-3-2-4-14(5-10)17-9-11-6-12(15)8-13(16)7-11;;/h2,4-8H,9H2,1H3;1H;/q-1;;+2/p-1
InChIKeyFEIYFFZHSDIXDD-UHFFFAOYSA-M
XLogP0.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide?
The IUPAC name of magnesium;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide (CID 91655875) is magnesium;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide.
What is the SMILES notation for magnesium;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide?
The canonical SMILES for magnesium;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide is Cc1[c-]ccc(OCc2cc(F)cc(F)c2)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide?
The InChIKey is FEIYFFZHSDIXDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11F2O.BrH.Mg/c1-10-3-2-4-14(5-10)17-9-11-6-12(15)8-13(16)7-11;;/h2,4-8H,9H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide?
magnesium;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide has a molecular weight of 337.45 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3-difluoro-5-[(3-methylbenzene-4-id-1-yl)oxymethyl]benzene;bromide is sourced from PubChem (CID 91655875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).