CID 58722570

C11H7AlF2NOP — CID 58722570

IUPAC—
SMILESFPc1cccc(-c2cc(F)ccc2O[Al])n1
InChIInChI=1S/C11H8F2NOP.Al/c12-7-4-5-10(15)8(6-7)9-2-1-3-11(14-9)16-13;/h1-6,15-16H;/q;+1/p-1
InChIKeyNPUHIZPEHSQMNJ-UHFFFAOYSA-M
MW265.13 g/mol
LogP2.54
Rot. Bonds3

About CID 58722570

CID 58722570 (PubChem CID 58722570) has the molecular formula C11H7AlF2NOP and a molecular weight of 265.13 g/mol.

Molecular Properties

Compound NameCID 58722570
PubChem CID58722570
Molecular FormulaC11H7AlF2NOP
Molecular Weight265.13 g/mol
Exact Mass265.00
IUPAC Name—
SMILESFPc1cccc(-c2cc(F)ccc2O[Al])n1
InChIInChI=1S/C11H8F2NOP.Al/c12-7-4-5-10(15)8(6-7)9-2-1-3-11(14-9)16-13;/h1-6,15-16H;/q;+1/p-1
InChIKeyNPUHIZPEHSQMNJ-UHFFFAOYSA-M
XLogP2.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58722570?
The IUPAC name of CID 58722570 (CID 58722570) is not available.
What is the SMILES notation for CID 58722570?
The canonical SMILES for CID 58722570 is FPc1cccc(-c2cc(F)ccc2O[Al])n1.
What is the InChIKey of CID 58722570?
The InChIKey is NPUHIZPEHSQMNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8F2NOP.Al/c12-7-4-5-10(15)8(6-7)9-2-1-3-11(14-9)16-13;/h1-6,15-16H;/q;+1/p-1.
What are the key properties of CID 58722570?
CID 58722570 has a molecular weight of 265.13 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58722570 is sourced from PubChem (CID 58722570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).