CID 139245763

C5H5BBrF2Li — CID 139245763

IUPAC—
SMILESFB(F)C1[C-](Br)C12CC2.[Li+]
InChIInChI=1S/C5H5BBrF2.Li/c7-4-3(6(8)9)5(4)1-2-5;/h3H,1-2H2;/q-1;+1
InChIKeyZJKJPFPSBWZYMB-UHFFFAOYSA-N
MW200.75 g/mol
LogP-0.49
Rot. Bonds1

About CID 139245763

CID 139245763 (PubChem CID 139245763) has the molecular formula C5H5BBrF2Li and a molecular weight of 200.75 g/mol.

Molecular Properties

Compound NameCID 139245763
PubChem CID139245763
Molecular FormulaC5H5BBrF2Li
Molecular Weight200.75 g/mol
Exact Mass199.98
IUPAC Name—
SMILESFB(F)C1[C-](Br)C12CC2.[Li+]
InChIInChI=1S/C5H5BBrF2.Li/c7-4-3(6(8)9)5(4)1-2-5;/h3H,1-2H2;/q-1;+1
InChIKeyZJKJPFPSBWZYMB-UHFFFAOYSA-N
XLogP-0.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.75
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 139245763?
The IUPAC name of CID 139245763 (CID 139245763) is not available.
What is the SMILES notation for CID 139245763?
The canonical SMILES for CID 139245763 is FB(F)C1[C-](Br)C12CC2.[Li+].
What is the InChIKey of CID 139245763?
The InChIKey is ZJKJPFPSBWZYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BBrF2.Li/c7-4-3(6(8)9)5(4)1-2-5;/h3H,1-2H2;/q-1;+1.
What are the key properties of CID 139245763?
CID 139245763 has a molecular weight of 200.75 g/mol, XLogP of -0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139245763 is sourced from PubChem (CID 139245763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).