CID 170997298

H2B2CuF8O-2 — CID 170997298

IUPAC—
SMILESF[B-](F)(F)F.F[B-](F)(F)F.O.[Cu]
InChIInChI=1S/2BF4.Cu.H2O/c2*2-1(3,4)5;;/h;;;1H2/q2*-1;;
InChIKeyOOIPDKKSYSCHBI-UHFFFAOYSA-N
MW255.17 g/mol
LogP1.77
Rot. Bonds

About CID 170997298

CID 170997298 (PubChem CID 170997298) has the molecular formula H2B2CuF8O-2 and a molecular weight of 255.17 g/mol.

Molecular Properties

Compound NameCID 170997298
PubChem CID170997298
Molecular FormulaH2B2CuF8O-2
Molecular Weight255.17 g/mol
Exact Mass254.95
IUPAC Name—
SMILESF[B-](F)(F)F.F[B-](F)(F)F.O.[Cu]
InChIInChI=1S/2BF4.Cu.H2O/c2*2-1(3,4)5;;/h;;;1H2/q2*-1;;
InChIKeyOOIPDKKSYSCHBI-UHFFFAOYSA-N
XLogP1.77
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.17
LogP ≤ 51.77
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 170997298?
The IUPAC name of CID 170997298 (CID 170997298) is not available.
What is the SMILES notation for CID 170997298?
The canonical SMILES for CID 170997298 is F[B-](F)(F)F.F[B-](F)(F)F.O.[Cu].
What is the InChIKey of CID 170997298?
The InChIKey is OOIPDKKSYSCHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/2BF4.Cu.H2O/c2*2-1(3,4)5;;/h;;;1H2/q2*-1;;.
What are the key properties of CID 170997298?
CID 170997298 has a molecular weight of 255.17 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170997298 is sourced from PubChem (CID 170997298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).