CID 91524278

C12H19BF — CID 91524278

IUPAC—
SMILESCCCCCC[B]C1=CC(F)CC=C1
InChIInChI=1S/C12H19BF/c1-2-3-4-5-9-13-11-7-6-8-12(14)10-11/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyAZPVTSGRHZPNKP-UHFFFAOYSA-N
MW193.09 g/mol
LogP3.87
Rot. Bonds6

About CID 91524278

CID 91524278 (PubChem CID 91524278) has the molecular formula C12H19BF and a molecular weight of 193.09 g/mol.

Molecular Properties

Compound NameCID 91524278
PubChem CID91524278
Molecular FormulaC12H19BF
Molecular Weight193.09 g/mol
Exact Mass193.16
IUPAC Name—
SMILESCCCCCC[B]C1=CC(F)CC=C1
InChIInChI=1S/C12H19BF/c1-2-3-4-5-9-13-11-7-6-8-12(14)10-11/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyAZPVTSGRHZPNKP-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.09
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 91524278 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 91524278?
The IUPAC name of CID 91524278 (CID 91524278) is not available.
What is the SMILES notation for CID 91524278?
The canonical SMILES for CID 91524278 is CCCCCC[B]C1=CC(F)CC=C1.
What is the InChIKey of CID 91524278?
The InChIKey is AZPVTSGRHZPNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BF/c1-2-3-4-5-9-13-11-7-6-8-12(14)10-11/h6-7,10,12H,2-5,8-9H2,1H3.
What are the key properties of CID 91524278?
CID 91524278 has a molecular weight of 193.09 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91524278 is sourced from PubChem (CID 91524278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).