CID 59340291

C12H8AlF2NO — CID 59340291

IUPAC—
SMILESFCc1cccc(-c2ccc(F)cc2O[Al])n1
InChIInChI=1S/C12H9F2NO.Al/c13-7-9-2-1-3-11(15-9)10-5-4-8(14)6-12(10)16;/h1-6,16H,7H2;/q;+1/p-1
InChIKeyRFIJEPVPOOIRNN-UHFFFAOYSA-M
MW247.18 g/mol
LogP2.82
Rot. Bonds3

About CID 59340291

CID 59340291 (PubChem CID 59340291) has the molecular formula C12H8AlF2NO and a molecular weight of 247.18 g/mol.

Molecular Properties

Compound NameCID 59340291
PubChem CID59340291
Molecular FormulaC12H8AlF2NO
Molecular Weight247.18 g/mol
Exact Mass247.04
IUPAC Name—
SMILESFCc1cccc(-c2ccc(F)cc2O[Al])n1
InChIInChI=1S/C12H9F2NO.Al/c13-7-9-2-1-3-11(15-9)10-5-4-8(14)6-12(10)16;/h1-6,16H,7H2;/q;+1/p-1
InChIKeyRFIJEPVPOOIRNN-UHFFFAOYSA-M
XLogP2.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59340291?
The IUPAC name of CID 59340291 (CID 59340291) is not available.
What is the SMILES notation for CID 59340291?
The canonical SMILES for CID 59340291 is FCc1cccc(-c2ccc(F)cc2O[Al])n1.
What is the InChIKey of CID 59340291?
The InChIKey is RFIJEPVPOOIRNN-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9F2NO.Al/c13-7-9-2-1-3-11(15-9)10-5-4-8(14)6-12(10)16;/h1-6,16H,7H2;/q;+1/p-1.
What are the key properties of CID 59340291?
CID 59340291 has a molecular weight of 247.18 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59340291 is sourced from PubChem (CID 59340291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).