magnesium;(3-chloro-2,2,3-trifluoropropyl)benzene;bromide

C9H7BrClF3Mg — CID 134892807

IUPACmagnesium;(3-chloro-2,2,3-trifluoropropyl)benzene;bromide
SMILESFC(Cl)C(F)(F)Cc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C9H7ClF3.BrH.Mg/c10-8(11)9(12,13)6-7-4-2-1-3-5-7;;/h2-5,8H,6H2;1H;/q-1;;+2/p-1
InChIKeyRWMLVMURFUQJSQ-UHFFFAOYSA-M
MW311.81 g/mol
LogP-0.18
Rot. Bonds3

About magnesium;(3-chloro-2,2,3-trifluoropropyl)benzene;bromide

magnesium;(3-chloro-2,2,3-trifluoropropyl)benzene;bromide (PubChem CID 134892807) has the molecular formula C9H7BrClF3Mg and a molecular weight of 311.81 g/mol. Its IUPAC name is magnesium;(3-chloro-2,2,3-trifluoropropyl)benzene;bromide.

Molecular Properties

Compound Namemagnesium;(3-chloro-2,2,3-trifluoropropyl)benzene;bromide
PubChem CID134892807
Molecular FormulaC9H7BrClF3Mg
Molecular Weight311.81 g/mol
Exact Mass309.92
IUPAC Namemagnesium;(3-chloro-2,2,3-trifluoropropyl)benzene;bromide
SMILESFC(Cl)C(F)(F)Cc1cc[c-]cc1.[Br-].[Mg+2]
InChIInChI=1S/C9H7ClF3.BrH.Mg/c10-8(11)9(12,13)6-7-4-2-1-3-5-7;;/h2-5,8H,6H2;1H;/q-1;;+2/p-1
InChIKeyRWMLVMURFUQJSQ-UHFFFAOYSA-M
XLogP-0.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;(3-chloro-2,2,3-trifluoropropyl)benzene;bromide?
The IUPAC name of magnesium;(3-chloro-2,2,3-trifluoropropyl)benzene;bromide (CID 134892807) is magnesium;(3-chloro-2,2,3-trifluoropropyl)benzene;bromide.
What is the SMILES notation for magnesium;(3-chloro-2,2,3-trifluoropropyl)benzene;bromide?
The canonical SMILES for magnesium;(3-chloro-2,2,3-trifluoropropyl)benzene;bromide is FC(Cl)C(F)(F)Cc1cc[c-]cc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;(3-chloro-2,2,3-trifluoropropyl)benzene;bromide?
The InChIKey is RWMLVMURFUQJSQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7ClF3.BrH.Mg/c10-8(11)9(12,13)6-7-4-2-1-3-5-7;;/h2-5,8H,6H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;(3-chloro-2,2,3-trifluoropropyl)benzene;bromide?
magnesium;(3-chloro-2,2,3-trifluoropropyl)benzene;bromide has a molecular weight of 311.81 g/mol, XLogP of -0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(3-chloro-2,2,3-trifluoropropyl)benzene;bromide is sourced from PubChem (CID 134892807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).