CID 58997570

C5H8BFO3 — CID 58997570

IUPAC—
SMILES[B][C@H]1O[C@@H](CO)[C@@H](O)C1F
InChIInChI=1S/C5H8BFO3/c6-5-3(7)4(9)2(1-8)10-5/h2-5,8-9H,1H2/t2-,3?,4+,5-/m0/s1
InChIKeyIHRCXWBHBBZJDG-HMBKUUBJSA-N
MW145.93 g/mol
LogP-1.43
Rot. Bonds1

About CID 58997570

CID 58997570 (PubChem CID 58997570) has the molecular formula C5H8BFO3 and a molecular weight of 145.93 g/mol.

Molecular Properties

Compound NameCID 58997570
PubChem CID58997570
Molecular FormulaC5H8BFO3
Molecular Weight145.93 g/mol
Exact Mass146.06
IUPAC Name—
SMILES[B][C@H]1O[C@@H](CO)[C@@H](O)C1F
InChIInChI=1S/C5H8BFO3/c6-5-3(7)4(9)2(1-8)10-5/h2-5,8-9H,1H2/t2-,3?,4+,5-/m0/s1
InChIKeyIHRCXWBHBBZJDG-HMBKUUBJSA-N
XLogP-1.43
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.93
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 58997570?
The IUPAC name of CID 58997570 (CID 58997570) is not available.
What is the SMILES notation for CID 58997570?
The canonical SMILES for CID 58997570 is [B][C@H]1O[C@@H](CO)[C@@H](O)C1F.
What is the InChIKey of CID 58997570?
The InChIKey is IHRCXWBHBBZJDG-HMBKUUBJSA-N. The full InChI is InChI=1S/C5H8BFO3/c6-5-3(7)4(9)2(1-8)10-5/h2-5,8-9H,1H2/t2-,3?,4+,5-/m0/s1.
What are the key properties of CID 58997570?
CID 58997570 has a molecular weight of 145.93 g/mol, XLogP of -1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58997570 is sourced from PubChem (CID 58997570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).