CID 144561645

C6H3AlFNO — CID 144561645

IUPAC—
SMILESO=C(F)c1cccc([Al])n1
InChIInChI=1S/C6H3FNO.Al/c7-6(9)5-3-1-2-4-8-5;/h1-3H;
InChIKeyMBJGSVORQHLESB-UHFFFAOYSA-N
MW151.08 g/mol
LogP-0.01
Rot. Bonds1

About CID 144561645

CID 144561645 (PubChem CID 144561645) has the molecular formula C6H3AlFNO and a molecular weight of 151.08 g/mol.

Molecular Properties

Compound NameCID 144561645
PubChem CID144561645
Molecular FormulaC6H3AlFNO
Molecular Weight151.08 g/mol
Exact Mass151.00
IUPAC Name—
SMILESO=C(F)c1cccc([Al])n1
InChIInChI=1S/C6H3FNO.Al/c7-6(9)5-3-1-2-4-8-5;/h1-3H;
InChIKeyMBJGSVORQHLESB-UHFFFAOYSA-N
XLogP-0.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.08
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 144561645 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 144561645?
The IUPAC name of CID 144561645 (CID 144561645) is not available.
What is the SMILES notation for CID 144561645?
The canonical SMILES for CID 144561645 is O=C(F)c1cccc([Al])n1.
What is the InChIKey of CID 144561645?
The InChIKey is MBJGSVORQHLESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FNO.Al/c7-6(9)5-3-1-2-4-8-5;/h1-3H;.
What are the key properties of CID 144561645?
CID 144561645 has a molecular weight of 151.08 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144561645 is sourced from PubChem (CID 144561645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).