magnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride

C14ClF9Mg — CID 90189953

IUPACmagnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride
SMILESFc1[c-]c(F)c2c(F)c3c(F)c(F)c(F)c(F)c3c(F)c2c1F.[Cl-].[Mg+2]
InChIInChI=1S/C14F9.ClH.Mg/c15-2-1-3(16)8(17)5-4(2)9(18)6-7(10(5)19)12(21)14(23)13(22)11(6)20;;/h;1H;/q-1;;+2/p-1
InChIKeyUBKPQUVGFBAIAW-UHFFFAOYSA-M
MW398.89 g/mol
LogP1.67
Rot. Bonds

About magnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride

magnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride (PubChem CID 90189953) has the molecular formula C14ClF9Mg and a molecular weight of 398.89 g/mol. Its IUPAC name is magnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride.

Molecular Properties

Compound Namemagnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride
PubChem CID90189953
Molecular FormulaC14ClF9Mg
Molecular Weight398.89 g/mol
Exact Mass397.94
IUPAC Namemagnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride
SMILESFc1[c-]c(F)c2c(F)c3c(F)c(F)c(F)c(F)c3c(F)c2c1F.[Cl-].[Mg+2]
InChIInChI=1S/C14F9.ClH.Mg/c15-2-1-3(16)8(17)5-4(2)9(18)6-7(10(5)19)12(21)14(23)13(22)11(6)20;;/h;1H;/q-1;;+2/p-1
InChIKeyUBKPQUVGFBAIAW-UHFFFAOYSA-M
XLogP1.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 51.67
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of magnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride?
The IUPAC name of magnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride (CID 90189953) is magnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride.
What is the SMILES notation for magnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride?
The canonical SMILES for magnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride is Fc1[c-]c(F)c2c(F)c3c(F)c(F)c(F)c(F)c3c(F)c2c1F.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride?
The InChIKey is UBKPQUVGFBAIAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C14F9.ClH.Mg/c15-2-1-3(16)8(17)5-4(2)9(18)6-7(10(5)19)12(21)14(23)13(22)11(6)20;;/h;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride?
magnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride has a molecular weight of 398.89 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3,4,5,6,7,8,9,10-nonafluoro-2H-anthracen-2-ide;chloride is sourced from PubChem (CID 90189953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).