CID 173162991

C2H5BF2 — CID 173162991

IUPAC—
SMILESCCF.[B]F
InChIInChI=1S/C2H5F.BF/c1-2-3;1-2/h2H2,1H3;
InChIKeyQUSIUTOOIVNDRM-UHFFFAOYSA-N
MW77.87 g/mol
LogP1.02
Rot. Bonds

About CID 173162991

CID 173162991 (PubChem CID 173162991) has the molecular formula C2H5BF2 and a molecular weight of 77.87 g/mol.

Molecular Properties

Compound NameCID 173162991
PubChem CID173162991
Molecular FormulaC2H5BF2
Molecular Weight77.87 g/mol
Exact Mass78.05
IUPAC Name—
SMILESCCF.[B]F
InChIInChI=1S/C2H5F.BF/c1-2-3;1-2/h2H2,1H3;
InChIKeyQUSIUTOOIVNDRM-UHFFFAOYSA-N
XLogP1.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.87
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 173162991 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 173162991?
The IUPAC name of CID 173162991 (CID 173162991) is not available.
What is the SMILES notation for CID 173162991?
The canonical SMILES for CID 173162991 is CCF.[B]F.
What is the InChIKey of CID 173162991?
The InChIKey is QUSIUTOOIVNDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F.BF/c1-2-3;1-2/h2H2,1H3;.
What are the key properties of CID 173162991?
CID 173162991 has a molecular weight of 77.87 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173162991 is sourced from PubChem (CID 173162991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).