CID 59340308

C12H9AlFNO — CID 59340308

IUPAC—
SMILESFCc1cccc(-c2ccccc2O[Al])n1
InChIInChI=1S/C12H10FNO.Al/c13-8-9-4-3-6-11(14-9)10-5-1-2-7-12(10)15;/h1-7,15H,8H2;/q;+1/p-1
InChIKeyOQPANWKRQAXZIN-UHFFFAOYSA-M
MW229.19 g/mol
LogP2.68
Rot. Bonds3

About CID 59340308

CID 59340308 (PubChem CID 59340308) has the molecular formula C12H9AlFNO and a molecular weight of 229.19 g/mol.

Molecular Properties

Compound NameCID 59340308
PubChem CID59340308
Molecular FormulaC12H9AlFNO
Molecular Weight229.19 g/mol
Exact Mass229.05
IUPAC Name—
SMILESFCc1cccc(-c2ccccc2O[Al])n1
InChIInChI=1S/C12H10FNO.Al/c13-8-9-4-3-6-11(14-9)10-5-1-2-7-12(10)15;/h1-7,15H,8H2;/q;+1/p-1
InChIKeyOQPANWKRQAXZIN-UHFFFAOYSA-M
XLogP2.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59340308?
The IUPAC name of CID 59340308 (CID 59340308) is not available.
What is the SMILES notation for CID 59340308?
The canonical SMILES for CID 59340308 is FCc1cccc(-c2ccccc2O[Al])n1.
What is the InChIKey of CID 59340308?
The InChIKey is OQPANWKRQAXZIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10FNO.Al/c13-8-9-4-3-6-11(14-9)10-5-1-2-7-12(10)15;/h1-7,15H,8H2;/q;+1/p-1.
What are the key properties of CID 59340308?
CID 59340308 has a molecular weight of 229.19 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59340308 is sourced from PubChem (CID 59340308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).