magnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride

C7HClF5MgO2+ — CID 173268158

IUPACmagnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride
SMILESO=C(O)c1c(F)c(F)c(F)c(F)c1F.[Cl-].[Mg+2]
InChIInChI=1S/C7HF5O2.ClH.Mg/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;;/h(H,13,14);1H;/q;;+2/p-1
InChIKeyXOPQNOUKENXPHL-UHFFFAOYSA-M
MW271.83 g/mol
LogP-1.30
Rot. Bonds1

About magnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride

magnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride (PubChem CID 173268158) has the molecular formula C7HClF5MgO2+ and a molecular weight of 271.83 g/mol. Its IUPAC name is magnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride.

Molecular Properties

Compound Namemagnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride
PubChem CID173268158
Molecular FormulaC7HClF5MgO2+
Molecular Weight271.83 g/mol
Exact Mass270.94
IUPAC Namemagnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride
SMILESO=C(O)c1c(F)c(F)c(F)c(F)c1F.[Cl-].[Mg+2]
InChIInChI=1S/C7HF5O2.ClH.Mg/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;;/h(H,13,14);1H;/q;;+2/p-1
InChIKeyXOPQNOUKENXPHL-UHFFFAOYSA-M
XLogP-1.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze magnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4,5,6-pentafluoro(13C)benzoic acid
CID 171380486
alumane;2,3,4,5,6-pentafluorobenzoic acid
CID 175014450
cadmium;bis(2,3,4,5,6-pentafluorobenzoic acid)
CID 135046490
ethane;2,3,5,6-tetrafluoroterephthalic acid
CID 142538632
mercury;3,4,5,6-tetrafluorophthalic acid
CID 87844638
1,3,4,5,6,8-hexafluoronaphthalene-2,7-dicarboxylic acid
CID 139985877
3-(2,3-dicarboxy-4,5,6-trifluorobenzoyl)-4,5,6-trifluorophthalic acid
CID 19891320
2-amino-3,4,5,6-tetrafluorobenzoic acid
CID 139081576
2-chloro-3,5,6-trifluoroterephthalic acid
CID 87123234
2,6-difluoro-3,4,5-trihydroxybenzoic acid
CID 45092987
2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzoic acid
CID 2776796
2,4,5-trifluoro-6-sulfanylbenzene-1,3-dicarboxylic acid
CID 14204942

Frequently Asked Questions

What is the IUPAC name of magnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride?
The IUPAC name of magnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride (CID 173268158) is magnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride.
What is the SMILES notation for magnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride?
The canonical SMILES for magnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride is O=C(O)c1c(F)c(F)c(F)c(F)c1F.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride?
The InChIKey is XOPQNOUKENXPHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7HF5O2.ClH.Mg/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;;/h(H,13,14);1H;/q;;+2/p-1.
What are the key properties of magnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride?
magnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride has a molecular weight of 271.83 g/mol, XLogP of -1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride is sourced from PubChem (CID 173268158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).