CID 21122182

C4H12BFN2P — CID 21122182

IUPAC—
SMILESCN(C)P(F)N(C)C.[B]
InChIInChI=1S/C4H12FN2P.B/c1-6(2)8(5)7(3)4;/h1-4H3;
InChIKeyOQACMOHOGOYMTO-UHFFFAOYSA-N
MW148.94 g/mol
LogP0.93
Rot. Bonds2

About CID 21122182

CID 21122182 (PubChem CID 21122182) has the molecular formula C4H12BFN2P and a molecular weight of 148.94 g/mol.

Molecular Properties

Compound NameCID 21122182
PubChem CID21122182
Molecular FormulaC4H12BFN2P
Molecular Weight148.94 g/mol
Exact Mass149.08
IUPAC Name—
SMILESCN(C)P(F)N(C)C.[B]
InChIInChI=1S/C4H12FN2P.B/c1-6(2)8(5)7(3)4;/h1-4H3;
InChIKeyOQACMOHOGOYMTO-UHFFFAOYSA-N
XLogP0.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.94
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 21122182 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 21122182?
The IUPAC name of CID 21122182 (CID 21122182) is not available.
What is the SMILES notation for CID 21122182?
The canonical SMILES for CID 21122182 is CN(C)P(F)N(C)C.[B].
What is the InChIKey of CID 21122182?
The InChIKey is OQACMOHOGOYMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12FN2P.B/c1-6(2)8(5)7(3)4;/h1-4H3;.
What are the key properties of CID 21122182?
CID 21122182 has a molecular weight of 148.94 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21122182 is sourced from PubChem (CID 21122182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).