CID 59656719

C6HB3F2Y51 — CID 59656719

IUPAC—
SMILES[B]c1cc([B])c(F)c([B])c1F.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C6HB3F2.51Y/c7-2-1-3(8)6(11)4(9)5(2)10;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyUWAWGYAIOGFKDO-UHFFFAOYSA-N
MW4677.71 g/mol
LogP-1.78
Rot. Bonds

About CID 59656719

CID 59656719 (PubChem CID 59656719) has the molecular formula C6HB3F2Y51 and a molecular weight of 4677.71 g/mol.

Molecular Properties

Compound NameCID 59656719
PubChem CID59656719
Molecular FormulaC6HB3F2Y51
Molecular Weight4677.71 g/mol
Exact Mass4678.23
IUPAC Name—
SMILES[B]c1cc([B])c(F)c([B])c1F.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C6HB3F2.51Y/c7-2-1-3(8)6(11)4(9)5(2)10;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyUWAWGYAIOGFKDO-UHFFFAOYSA-N
XLogP-1.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms62
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5004677.71
LogP ≤ 5-1.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59656719?
The IUPAC name of CID 59656719 (CID 59656719) is not available.
What is the SMILES notation for CID 59656719?
The canonical SMILES for CID 59656719 is [B]c1cc([B])c(F)c([B])c1F.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of CID 59656719?
The InChIKey is UWAWGYAIOGFKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HB3F2.51Y/c7-2-1-3(8)6(11)4(9)5(2)10;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of CID 59656719?
CID 59656719 has a molecular weight of 4677.71 g/mol, XLogP of -1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59656719 is sourced from PubChem (CID 59656719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).