CID 158570569

C6H4BFRb — CID 158570569

IUPAC—
SMILES[B]c1ccc(F)cc1.[Rb]
InChIInChI=1S/C6H4BF.Rb/c7-5-1-3-6(8)4-2-5;/h1-4H;
InChIKeyHSAICXMNGKFGHV-UHFFFAOYSA-N
MW191.38 g/mol
LogP0.24
Rot. Bonds

About CID 158570569

CID 158570569 (PubChem CID 158570569) has the molecular formula C6H4BFRb and a molecular weight of 191.38 g/mol.

Molecular Properties

Compound NameCID 158570569
PubChem CID158570569
Molecular FormulaC6H4BFRb
Molecular Weight191.38 g/mol
Exact Mass190.95
IUPAC Name—
SMILES[B]c1ccc(F)cc1.[Rb]
InChIInChI=1S/C6H4BF.Rb/c7-5-1-3-6(8)4-2-5;/h1-4H;
InChIKeyHSAICXMNGKFGHV-UHFFFAOYSA-N
XLogP0.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.38
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 158570569 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-difluorobenzene bromide
CID 21301175
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
1,4-difluorobenzene;trichloroalumane
CID 174965184
4-fluorobenzenethiol
CID 158914451
tris(4-fluorophenyl)phosphanium
CID 23413715
CID 88897804
CID 88897804
CID 174478426
CID 174478426
(4-fluorophenyl)mercury(1+) hydroxide
CID 22762131
4-fluorophenol;zirconium
CID 74015831
4-fluorophenol;dihydrofluoride
CID 174753793
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
bis(4-fluorophenyl)mercury
CID 12636492

Frequently Asked Questions

What is the IUPAC name of CID 158570569?
The IUPAC name of CID 158570569 (CID 158570569) is not available.
What is the SMILES notation for CID 158570569?
The canonical SMILES for CID 158570569 is [B]c1ccc(F)cc1.[Rb].
What is the InChIKey of CID 158570569?
The InChIKey is HSAICXMNGKFGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BF.Rb/c7-5-1-3-6(8)4-2-5;/h1-4H;.
What are the key properties of CID 158570569?
CID 158570569 has a molecular weight of 191.38 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158570569 is sourced from PubChem (CID 158570569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).