magnesium;fluorobenzene;propane;hydrobromide

C9H12BrFMg — CID 88731859

IUPACmagnesium;fluorobenzene;propane;hydrobromide
SMILESBr.Fc1c[c-]ccc1.[CH2-]CC.[Mg+2]
InChIInChI=1S/C6H4F.C3H7.BrH.Mg/c7-6-4-2-1-3-5-6;1-3-2;;/h1-2,4-5H;1,3H2,2H3;1H;/q2*-1;;+2
InChIKeyBSFWHORAYCSILC-UHFFFAOYSA-N
MW243.40 g/mol
LogP3.05
Rot. Bonds

About magnesium;fluorobenzene;propane;hydrobromide

magnesium;fluorobenzene;propane;hydrobromide (PubChem CID 88731859) has the molecular formula C9H12BrFMg and a molecular weight of 243.40 g/mol. Its IUPAC name is magnesium;fluorobenzene;propane;hydrobromide.

Molecular Properties

Compound Namemagnesium;fluorobenzene;propane;hydrobromide
PubChem CID88731859
Molecular FormulaC9H12BrFMg
Molecular Weight243.40 g/mol
Exact Mass242.00
IUPAC Namemagnesium;fluorobenzene;propane;hydrobromide
SMILESBr.Fc1c[c-]ccc1.[CH2-]CC.[Mg+2]
InChIInChI=1S/C6H4F.C3H7.BrH.Mg/c7-6-4-2-1-3-5-6;1-3-2;;/h1-2,4-5H;1,3H2,2H3;1H;/q2*-1;;+2
InChIKeyBSFWHORAYCSILC-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-Fluorophenylmagnesium Bromide
CID 2778196
4-Fluorophenylmagnesium bromide
CID 2734897
Butylphenylmagnesium
CID 13152995
2-Fluorophenylmagnesium bromide
CID 14579815
Isopropylphenylmagnesium
CID 22617538
ZINC;ethane;fluorobenzene
CID 89188895
(3-Fluorophenyl) magnesium bromide
CID 6093568
(2Z,4E,6E)-4-fluoroocta-2,4,6-triene
CID 87152719
(2E,4Z,6Z)-1-fluoroocta-2,4,6-triene
CID 89311774
4-Fluoroocta-2,4,6-triene
CID 91299138
(2E,4Z,6Z)-2-fluoroocta-2,4,6-triene
CID 141867359
(2Z,7E)-4-fluoronona-2,4,5,7-tetraene
CID 142048043

Frequently Asked Questions

What is the IUPAC name of magnesium;fluorobenzene;propane;hydrobromide?
The IUPAC name of magnesium;fluorobenzene;propane;hydrobromide (CID 88731859) is magnesium;fluorobenzene;propane;hydrobromide.
What is the SMILES notation for magnesium;fluorobenzene;propane;hydrobromide?
The canonical SMILES for magnesium;fluorobenzene;propane;hydrobromide is Br.Fc1c[c-]ccc1.[CH2-]CC.[Mg+2].
What is the InChIKey of magnesium;fluorobenzene;propane;hydrobromide?
The InChIKey is BSFWHORAYCSILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F.C3H7.BrH.Mg/c7-6-4-2-1-3-5-6;1-3-2;;/h1-2,4-5H;1,3H2,2H3;1H;/q2*-1;;+2.
What are the key properties of magnesium;fluorobenzene;propane;hydrobromide?
magnesium;fluorobenzene;propane;hydrobromide has a molecular weight of 243.40 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;fluorobenzene;propane;hydrobromide is sourced from PubChem (CID 88731859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).