magnesium;1-propan-2-yloxy-3-(trifluoromethoxy)benzene-6-ide;bromide

C10H10BrF3MgO2 — CID 146001451

IUPACmagnesium;1-propan-2-yloxy-3-(trifluoromethoxy)benzene-6-ide;bromide
SMILESCC(C)Oc1[c-]ccc(OC(F)(F)F)c1.[Br-].[Mg+2]
InChIInChI=1S/C10H10F3O2.BrH.Mg/c1-7(2)14-8-4-3-5-9(6-8)15-10(11,12)13;;/h3,5-7H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyFTYNRINFHXKASA-UHFFFAOYSA-M
MW323.39 g/mol
LogP-0.20
Rot. Bonds3

About magnesium;1-propan-2-yloxy-3-(trifluoromethoxy)benzene-6-ide;bromide

magnesium;1-propan-2-yloxy-3-(trifluoromethoxy)benzene-6-ide;bromide (PubChem CID 146001451) has the molecular formula C10H10BrF3MgO2 and a molecular weight of 323.39 g/mol. Its IUPAC name is magnesium;1-propan-2-yloxy-3-(trifluoromethoxy)benzene-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;1-propan-2-yloxy-3-(trifluoromethoxy)benzene-6-ide;bromide
PubChem CID146001451
Molecular FormulaC10H10BrF3MgO2
Molecular Weight323.39 g/mol
Exact Mass321.97
IUPAC Namemagnesium;1-propan-2-yloxy-3-(trifluoromethoxy)benzene-6-ide;bromide
SMILESCC(C)Oc1[c-]ccc(OC(F)(F)F)c1.[Br-].[Mg+2]
InChIInChI=1S/C10H10F3O2.BrH.Mg/c1-7(2)14-8-4-3-5-9(6-8)15-10(11,12)13;;/h3,5-7H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyFTYNRINFHXKASA-UHFFFAOYSA-M
XLogP-0.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-propan-2-yloxy-3-(trifluoromethoxy)benzene-6-ide;bromide?
The IUPAC name of magnesium;1-propan-2-yloxy-3-(trifluoromethoxy)benzene-6-ide;bromide (CID 146001451) is magnesium;1-propan-2-yloxy-3-(trifluoromethoxy)benzene-6-ide;bromide.
What is the SMILES notation for magnesium;1-propan-2-yloxy-3-(trifluoromethoxy)benzene-6-ide;bromide?
The canonical SMILES for magnesium;1-propan-2-yloxy-3-(trifluoromethoxy)benzene-6-ide;bromide is CC(C)Oc1[c-]ccc(OC(F)(F)F)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-propan-2-yloxy-3-(trifluoromethoxy)benzene-6-ide;bromide?
The InChIKey is FTYNRINFHXKASA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10F3O2.BrH.Mg/c1-7(2)14-8-4-3-5-9(6-8)15-10(11,12)13;;/h3,5-7H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-propan-2-yloxy-3-(trifluoromethoxy)benzene-6-ide;bromide?
magnesium;1-propan-2-yloxy-3-(trifluoromethoxy)benzene-6-ide;bromide has a molecular weight of 323.39 g/mol, XLogP of -0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-propan-2-yloxy-3-(trifluoromethoxy)benzene-6-ide;bromide is sourced from PubChem (CID 146001451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).