magnesium;trifluoromethylsulfanylbenzene;bromide

C7H4BrF3MgS — CID 91658425

IUPACmagnesium;trifluoromethylsulfanylbenzene;bromide
SMILESFC(F)(F)Sc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C7H4F3S.BrH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q-1;;+2/p-1
InChIKeyYADPTCOVUGTLGM-UHFFFAOYSA-M
MW281.38 g/mol
LogP-0.28
Rot. Bonds1

About magnesium;trifluoromethylsulfanylbenzene;bromide

magnesium;trifluoromethylsulfanylbenzene;bromide (PubChem CID 91658425) has the molecular formula C7H4BrF3MgS and a molecular weight of 281.38 g/mol. Its IUPAC name is magnesium;trifluoromethylsulfanylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;trifluoromethylsulfanylbenzene;bromide
PubChem CID91658425
Molecular FormulaC7H4BrF3MgS
Molecular Weight281.38 g/mol
Exact Mass279.90
IUPAC Namemagnesium;trifluoromethylsulfanylbenzene;bromide
SMILESFC(F)(F)Sc1c[c-]ccc1.[Br-].[Mg+2]
InChIInChI=1S/C7H4F3S.BrH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q-1;;+2/p-1
InChIKeyYADPTCOVUGTLGM-UHFFFAOYSA-M
XLogP-0.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 5-0.28
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;trifluoromethylsulfanylbenzene;bromide?
The IUPAC name of magnesium;trifluoromethylsulfanylbenzene;bromide (CID 91658425) is magnesium;trifluoromethylsulfanylbenzene;bromide.
What is the SMILES notation for magnesium;trifluoromethylsulfanylbenzene;bromide?
The canonical SMILES for magnesium;trifluoromethylsulfanylbenzene;bromide is FC(F)(F)Sc1c[c-]ccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;trifluoromethylsulfanylbenzene;bromide?
The InChIKey is YADPTCOVUGTLGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4F3S.BrH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;trifluoromethylsulfanylbenzene;bromide?
magnesium;trifluoromethylsulfanylbenzene;bromide has a molecular weight of 281.38 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;trifluoromethylsulfanylbenzene;bromide is sourced from PubChem (CID 91658425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).