CID 145469155

C7H4BFO2 — CID 145469155

IUPAC—
SMILES[B]Oc1ccc(C=O)c(F)c1
InChIInChI=1S/C7H4BFO2/c8-11-6-2-1-5(4-10)7(9)3-6/h1-4H
InChIKeyLIJUOKXNGQBLNS-UHFFFAOYSA-N
MW149.92 g/mol
LogP1.10
Rot. Bonds2

About CID 145469155

CID 145469155 (PubChem CID 145469155) has the molecular formula C7H4BFO2 and a molecular weight of 149.92 g/mol.

Molecular Properties

Compound NameCID 145469155
PubChem CID145469155
Molecular FormulaC7H4BFO2
Molecular Weight149.92 g/mol
Exact Mass150.03
IUPAC Name—
SMILES[B]Oc1ccc(C=O)c(F)c1
InChIInChI=1S/C7H4BFO2/c8-11-6-2-1-5(4-10)7(9)3-6/h1-4H
InChIKeyLIJUOKXNGQBLNS-UHFFFAOYSA-N
XLogP1.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.92
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 145469155 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 145469155?
The IUPAC name of CID 145469155 (CID 145469155) is not available.
What is the SMILES notation for CID 145469155?
The canonical SMILES for CID 145469155 is [B]Oc1ccc(C=O)c(F)c1.
What is the InChIKey of CID 145469155?
The InChIKey is LIJUOKXNGQBLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BFO2/c8-11-6-2-1-5(4-10)7(9)3-6/h1-4H.
What are the key properties of CID 145469155?
CID 145469155 has a molecular weight of 149.92 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145469155 is sourced from PubChem (CID 145469155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).