CID 175341725

C20H10AlF6N2O2 — CID 175341725

IUPAC—
SMILESFC(F)(F)c1ccc2cccc(O[Al]Oc3cccc4ccc(C(F)(F)F)nc34)c2n1
InChIInChI=1S/2C10H6F3NO.Al/c2*11-10(12,13)8-5-4-6-2-1-3-7(15)9(6)14-8;/h2*1-5,15H;/q;;+2/p-2
InChIKeyIQLKDAAQASUZHV-UHFFFAOYSA-L
MW451.28 g/mol
LogP5.81
Rot. Bonds4

About CID 175341725

CID 175341725 (PubChem CID 175341725) has the molecular formula C20H10AlF6N2O2 and a molecular weight of 451.28 g/mol.

Molecular Properties

Compound NameCID 175341725
PubChem CID175341725
Molecular FormulaC20H10AlF6N2O2
Molecular Weight451.28 g/mol
Exact Mass451.05
IUPAC Name—
SMILESFC(F)(F)c1ccc2cccc(O[Al]Oc3cccc4ccc(C(F)(F)F)nc34)c2n1
InChIInChI=1S/2C10H6F3NO.Al/c2*11-10(12,13)8-5-4-6-2-1-3-7(15)9(6)14-8;/h2*1-5,15H;/q;;+2/p-2
InChIKeyIQLKDAAQASUZHV-UHFFFAOYSA-L
XLogP5.81
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.28
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 175341725?
The IUPAC name of CID 175341725 (CID 175341725) is not available.
What is the SMILES notation for CID 175341725?
The canonical SMILES for CID 175341725 is FC(F)(F)c1ccc2cccc(O[Al]Oc3cccc4ccc(C(F)(F)F)nc34)c2n1.
What is the InChIKey of CID 175341725?
The InChIKey is IQLKDAAQASUZHV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H6F3NO.Al/c2*11-10(12,13)8-5-4-6-2-1-3-7(15)9(6)14-8;/h2*1-5,15H;/q;;+2/p-2.
What are the key properties of CID 175341725?
CID 175341725 has a molecular weight of 451.28 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175341725 is sourced from PubChem (CID 175341725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).