magnesium;trifluoromethylsulfanylbenzene;chloride

C7H4ClF3MgS — CID 150426233

IUPACmagnesium;trifluoromethylsulfanylbenzene;chloride
SMILESFC(F)(F)Sc1cc[c-]cc1.[Cl-].[Mg+2]
InChIInChI=1S/C7H4F3S.ClH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyGWKUBESAEJCGJI-UHFFFAOYSA-M
MW236.93 g/mol
LogP-0.28
Rot. Bonds1

About magnesium;trifluoromethylsulfanylbenzene;chloride

magnesium;trifluoromethylsulfanylbenzene;chloride (PubChem CID 150426233) has the molecular formula C7H4ClF3MgS and a molecular weight of 236.93 g/mol. Its IUPAC name is magnesium;trifluoromethylsulfanylbenzene;chloride.

Molecular Properties

Compound Namemagnesium;trifluoromethylsulfanylbenzene;chloride
PubChem CID150426233
Molecular FormulaC7H4ClF3MgS
Molecular Weight236.93 g/mol
Exact Mass235.95
IUPAC Namemagnesium;trifluoromethylsulfanylbenzene;chloride
SMILESFC(F)(F)Sc1cc[c-]cc1.[Cl-].[Mg+2]
InChIInChI=1S/C7H4F3S.ClH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1
InChIKeyGWKUBESAEJCGJI-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 ≤ 500236.93
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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Related Compounds

CID 54231632
CID 54231632
CID 142023267
CID 142023267
CID 91655223
CID 91655223
CID 91658425
CID 91658425
CID 133144659
CID 133144659
CID 133144661
CID 133144661
CID 175914743
CID 175914743

Frequently Asked Questions

What is the IUPAC name of magnesium;trifluoromethylsulfanylbenzene;chloride?
The IUPAC name of magnesium;trifluoromethylsulfanylbenzene;chloride (CID 150426233) is magnesium;trifluoromethylsulfanylbenzene;chloride.
What is the SMILES notation for magnesium;trifluoromethylsulfanylbenzene;chloride?
The canonical SMILES for magnesium;trifluoromethylsulfanylbenzene;chloride is FC(F)(F)Sc1cc[c-]cc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;trifluoromethylsulfanylbenzene;chloride?
The InChIKey is GWKUBESAEJCGJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4F3S.ClH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;trifluoromethylsulfanylbenzene;chloride?
magnesium;trifluoromethylsulfanylbenzene;chloride has a molecular weight of 236.93 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;chloride is sourced from PubChem (CID 150426233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).