CID 154024131

C10H9BF4 — CID 154024131

IUPAC—
SMILES[B]C(C)(C)c1c(F)c(C)c(F)c(F)c1F
InChIInChI=1S/C10H9BF4/c1-4-6(12)5(10(2,3)11)8(14)9(15)7(4)13/h1-3H3
InChIKeyKSGRTUHMPQUBCF-UHFFFAOYSA-N
MW215.99 g/mol
LogP2.96
Rot. Bonds1

About CID 154024131

CID 154024131 (PubChem CID 154024131) has the molecular formula C10H9BF4 and a molecular weight of 215.99 g/mol.

Molecular Properties

Compound NameCID 154024131
PubChem CID154024131
Molecular FormulaC10H9BF4
Molecular Weight215.99 g/mol
Exact Mass216.07
IUPAC Name—
SMILES[B]C(C)(C)c1c(F)c(C)c(F)c(F)c1F
InChIInChI=1S/C10H9BF4/c1-4-6(12)5(10(2,3)11)8(14)9(15)7(4)13/h1-3H3
InChIKeyKSGRTUHMPQUBCF-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.99
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 154024131 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 154024131?
The IUPAC name of CID 154024131 (CID 154024131) is not available.
What is the SMILES notation for CID 154024131?
The canonical SMILES for CID 154024131 is [B]C(C)(C)c1c(F)c(C)c(F)c(F)c1F.
What is the InChIKey of CID 154024131?
The InChIKey is KSGRTUHMPQUBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BF4/c1-4-6(12)5(10(2,3)11)8(14)9(15)7(4)13/h1-3H3.
What are the key properties of CID 154024131?
CID 154024131 has a molecular weight of 215.99 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154024131 is sourced from PubChem (CID 154024131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).