CID 172837158

C6BrF5Mg2 — CID 172837158

IUPAC—
SMILESFc1[c-]c(F)c(F)c(F)c1F.[Br-].[Mg+2].[Mg]
InChIInChI=1S/C6F5.BrH.2Mg/c7-2-1-3(8)5(10)6(11)4(2)9;;;/h;1H;;/q-1;;;+2/p-1
InChIKeyLKHDQAZGBLRBCX-UHFFFAOYSA-M
MW295.57 g/mol
LogP-1.58
Rot. Bonds

About CID 172837158

CID 172837158 (PubChem CID 172837158) has the molecular formula C6BrF5Mg2 and a molecular weight of 295.57 g/mol.

Molecular Properties

Compound NameCID 172837158
PubChem CID172837158
Molecular FormulaC6BrF5Mg2
Molecular Weight295.57 g/mol
Exact Mass293.88
IUPAC Name—
SMILESFc1[c-]c(F)c(F)c(F)c1F.[Br-].[Mg+2].[Mg]
InChIInChI=1S/C6F5.BrH.2Mg/c7-2-1-3(8)5(10)6(11)4(2)9;;;/h;1H;;/q-1;;;+2/p-1
InChIKeyLKHDQAZGBLRBCX-UHFFFAOYSA-M
XLogP-1.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.57
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentafluorobenzene-6-ide;titanium
CID 87571905
azanide;molybdenum;1,2,3,4,5-pentafluorobenzene-6-ide
CID 175473652
carbanide;1,2,3,4,5-pentafluorobenzene-6-ide;yttrium
CID 59920259
carbon monoxide;1,2,3,4,5-pentafluorobenzene-6-ide;rhenium
CID 631925
magnesium;2,3,4,5,6,7,8-heptafluoro-1H-naphthalen-1-ide;bromide
CID 87467832
magnesium;bis(manganese(3+));oxolane;octakis(1,2,3,4,5-pentafluorobenzene-6-ide)
CID 11506435
magnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride
CID 90189953
nickel;1,2,3,4,5-pentafluorobenzene-6-ide;toluene
CID 87365885
dilithium;1,2,4,5-tetrafluorobenzene-3,6-diide
CID 165346414
CID 11239390
CID 11239390
bis(1,2,3,4,5-pentafluorobenzene-6-ide);silver;tetrabutylazanium
CID 135046013
bis(cyclopentane);bis(3,3-dimethylbut-1-yne);bis(1,2,3,4,5-pentafluorobenzene-6-ide);platinum(2+);titanium(2+)
CID 23281684

Frequently Asked Questions

What is the IUPAC name of CID 172837158?
The IUPAC name of CID 172837158 (CID 172837158) is not available.
What is the SMILES notation for CID 172837158?
The canonical SMILES for CID 172837158 is Fc1[c-]c(F)c(F)c(F)c1F.[Br-].[Mg+2].[Mg].
What is the InChIKey of CID 172837158?
The InChIKey is LKHDQAZGBLRBCX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6F5.BrH.2Mg/c7-2-1-3(8)5(10)6(11)4(2)9;;;/h;1H;;/q-1;;;+2/p-1.
What are the key properties of CID 172837158?
CID 172837158 has a molecular weight of 295.57 g/mol, XLogP of -1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172837158 is sourced from PubChem (CID 172837158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).