CID 176557286

C9H13B2F2N — CID 176557286

IUPAC—
SMILES[B]C1(F)CC2CCC(CN2C)C1([B])F
InChIInChI=1S/C9H13B2F2N/c1-14-5-6-2-3-7(14)4-8(10,12)9(6,11)13/h6-7H,2-5H2,1H3
InChIKeyUGXQMGOLPJCXKD-UHFFFAOYSA-N
MW194.83 g/mol
LogP0.77
Rot. Bonds

About CID 176557286

CID 176557286 (PubChem CID 176557286) has the molecular formula C9H13B2F2N and a molecular weight of 194.83 g/mol.

Molecular Properties

Compound NameCID 176557286
PubChem CID176557286
Molecular FormulaC9H13B2F2N
Molecular Weight194.83 g/mol
Exact Mass195.12
IUPAC Name—
SMILES[B]C1(F)CC2CCC(CN2C)C1([B])F
InChIInChI=1S/C9H13B2F2N/c1-14-5-6-2-3-7(14)4-8(10,12)9(6,11)13/h6-7H,2-5H2,1H3
InChIKeyUGXQMGOLPJCXKD-UHFFFAOYSA-N
XLogP0.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.83
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 176557286 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 176557286?
The IUPAC name of CID 176557286 (CID 176557286) is not available.
What is the SMILES notation for CID 176557286?
The canonical SMILES for CID 176557286 is [B]C1(F)CC2CCC(CN2C)C1([B])F.
What is the InChIKey of CID 176557286?
The InChIKey is UGXQMGOLPJCXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13B2F2N/c1-14-5-6-2-3-7(14)4-8(10,12)9(6,11)13/h6-7H,2-5H2,1H3.
What are the key properties of CID 176557286?
CID 176557286 has a molecular weight of 194.83 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176557286 is sourced from PubChem (CID 176557286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).