CID 158271114

C10H10F6MgO4 — CID 158271114

IUPAC—
SMILESCC(=O)CC(=O)C(F)(F)F.CC(=O)CC(=O)C(F)(F)F.[Mg]
InChIInChI=1S/2C5H5F3O2.Mg/c2*1-3(9)2-4(10)5(6,7)8;/h2*2H2,1H3;
InChIKeyGJASHHWSUMTQBN-UHFFFAOYSA-N
MW332.48 g/mol
LogP1.81
Rot. Bonds4

About CID 158271114

CID 158271114 (PubChem CID 158271114) has the molecular formula C10H10F6MgO4 and a molecular weight of 332.48 g/mol.

Molecular Properties

Compound NameCID 158271114
PubChem CID158271114
Molecular FormulaC10H10F6MgO4
Molecular Weight332.48 g/mol
Exact Mass332.03
IUPAC Name—
SMILESCC(=O)CC(=O)C(F)(F)F.CC(=O)CC(=O)C(F)(F)F.[Mg]
InChIInChI=1S/2C5H5F3O2.Mg/c2*1-3(9)2-4(10)5(6,7)8;/h2*2H2,1H3;
InChIKeyGJASHHWSUMTQBN-UHFFFAOYSA-N
XLogP1.81
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 158271114?
The IUPAC name of CID 158271114 (CID 158271114) is not available.
What is the SMILES notation for CID 158271114?
The canonical SMILES for CID 158271114 is CC(=O)CC(=O)C(F)(F)F.CC(=O)CC(=O)C(F)(F)F.[Mg].
What is the InChIKey of CID 158271114?
The InChIKey is GJASHHWSUMTQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5F3O2.Mg/c2*1-3(9)2-4(10)5(6,7)8;/h2*2H2,1H3;.
What are the key properties of CID 158271114?
CID 158271114 has a molecular weight of 332.48 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158271114 is sourced from PubChem (CID 158271114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).