magnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide

C18H15BrF6MgOSi — CID 153323741

IUPACmagnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide
SMILES[Br-].[Mg+2].[O-][Si](C1C=CC=CC1(F)F)(C1C=CC=CC1(F)F)C1C=CC=CC1(F)F
InChIInChI=1S/C18H15F6OSi.BrH.Mg/c19-16(20)10-4-1-7-13(16)26(25,14-8-2-5-11-17(14,21)22)15-9-3-6-12-18(15,23)24;;/h1-15H;1H;/q-1;;+2/p-1
InChIKeySDJBAUIWEOAGMV-UHFFFAOYSA-M
MW493.60 g/mol
LogP1.31
Rot. Bonds3

About magnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide

magnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide (PubChem CID 153323741) has the molecular formula C18H15BrF6MgOSi and a molecular weight of 493.60 g/mol. Its IUPAC name is magnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide.

Molecular Properties

Compound Namemagnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide
PubChem CID153323741
Molecular FormulaC18H15BrF6MgOSi
Molecular Weight493.60 g/mol
Exact Mass491.98
IUPAC Namemagnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide
SMILES[Br-].[Mg+2].[O-][Si](C1C=CC=CC1(F)F)(C1C=CC=CC1(F)F)C1C=CC=CC1(F)F
InChIInChI=1S/C18H15F6OSi.BrH.Mg/c19-16(20)10-4-1-7-13(16)26(25,14-8-2-5-11-17(14,21)22)15-9-3-6-12-18(15,23)24;;/h1-15H;1H;/q-1;;+2/p-1
InChIKeySDJBAUIWEOAGMV-UHFFFAOYSA-M
XLogP1.31
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide?
The IUPAC name of magnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide (CID 153323741) is magnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide.
What is the SMILES notation for magnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide?
The canonical SMILES for magnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide is [Br-].[Mg+2].[O-][Si](C1C=CC=CC1(F)F)(C1C=CC=CC1(F)F)C1C=CC=CC1(F)F.
What is the InChIKey of magnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide?
The InChIKey is SDJBAUIWEOAGMV-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15F6OSi.BrH.Mg/c19-16(20)10-4-1-7-13(16)26(25,14-8-2-5-11-17(14,21)22)15-9-3-6-12-18(15,23)24;;/h1-15H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide?
magnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide has a molecular weight of 493.60 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;tris(6,6-difluorocyclohexa-2,4-dien-1-yl)-oxidosilane;bromide is sourced from PubChem (CID 153323741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).