CID 59340206

C12H6AlF2NO — CID 59340206

IUPAC—
SMILES[CH]c1cccc(-c2c(F)cc(F)cc2O[Al])n1
InChIInChI=1S/C12H7F2NO.Al/c1-7-3-2-4-10(15-7)12-9(14)5-8(13)6-11(12)16;/h1-6,16H;/q;+1/p-1
InChIKeyRQACPNHZKKUBTK-UHFFFAOYSA-M
MW245.16 g/mol
LogP2.55
Rot. Bonds2

About CID 59340206

CID 59340206 (PubChem CID 59340206) has the molecular formula C12H6AlF2NO and a molecular weight of 245.16 g/mol.

Molecular Properties

Compound NameCID 59340206
PubChem CID59340206
Molecular FormulaC12H6AlF2NO
Molecular Weight245.16 g/mol
Exact Mass245.02
IUPAC Name—
SMILES[CH]c1cccc(-c2c(F)cc(F)cc2O[Al])n1
InChIInChI=1S/C12H7F2NO.Al/c1-7-3-2-4-10(15-7)12-9(14)5-8(13)6-11(12)16;/h1-6,16H;/q;+1/p-1
InChIKeyRQACPNHZKKUBTK-UHFFFAOYSA-M
XLogP2.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59340206?
The IUPAC name of CID 59340206 (CID 59340206) is not available.
What is the SMILES notation for CID 59340206?
The canonical SMILES for CID 59340206 is [CH]c1cccc(-c2c(F)cc(F)cc2O[Al])n1.
What is the InChIKey of CID 59340206?
The InChIKey is RQACPNHZKKUBTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H7F2NO.Al/c1-7-3-2-4-10(15-7)12-9(14)5-8(13)6-11(12)16;/h1-6,16H;/q;+1/p-1.
What are the key properties of CID 59340206?
CID 59340206 has a molecular weight of 245.16 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59340206 is sourced from PubChem (CID 59340206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).