CID 58682564

C5H8BFO4 — CID 58682564

IUPAC—
SMILES[B][C@@H]1O[C@](F)(CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H8BFO4/c6-4-2(9)3(10)5(7,1-8)11-4/h2-4,8-10H,1H2/t2-,3+,4-,5-/m1/s1
InChIKeyBLJMNXMEBVMJDB-KKQCNMDGSA-N
MW161.92 g/mol
LogP-2.11
Rot. Bonds1

About CID 58682564

CID 58682564 (PubChem CID 58682564) has the molecular formula C5H8BFO4 and a molecular weight of 161.92 g/mol.

Molecular Properties

Compound NameCID 58682564
PubChem CID58682564
Molecular FormulaC5H8BFO4
Molecular Weight161.92 g/mol
Exact Mass162.05
IUPAC Name—
SMILES[B][C@@H]1O[C@](F)(CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C5H8BFO4/c6-4-2(9)3(10)5(7,1-8)11-4/h2-4,8-10H,1H2/t2-,3+,4-,5-/m1/s1
InChIKeyBLJMNXMEBVMJDB-KKQCNMDGSA-N
XLogP-2.11
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.92
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 58682564?
The IUPAC name of CID 58682564 (CID 58682564) is not available.
What is the SMILES notation for CID 58682564?
The canonical SMILES for CID 58682564 is [B][C@@H]1O[C@](F)(CO)[C@@H](O)[C@H]1O.
What is the InChIKey of CID 58682564?
The InChIKey is BLJMNXMEBVMJDB-KKQCNMDGSA-N. The full InChI is InChI=1S/C5H8BFO4/c6-4-2(9)3(10)5(7,1-8)11-4/h2-4,8-10H,1H2/t2-,3+,4-,5-/m1/s1.
What are the key properties of CID 58682564?
CID 58682564 has a molecular weight of 161.92 g/mol, XLogP of -2.11, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58682564 is sourced from PubChem (CID 58682564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).