CID 20768277

C5H8BFO3 — CID 20768277

IUPAC—
SMILES[B]C1OC(CO)C(O)C1F
InChIInChI=1S/C5H8BFO3/c6-5-3(7)4(9)2(1-8)10-5/h2-5,8-9H,1H2
InChIKeyIHRCXWBHBBZJDG-UHFFFAOYSA-N
MW145.93 g/mol
LogP-1.43
Rot. Bonds1

About CID 20768277

CID 20768277 (PubChem CID 20768277) has the molecular formula C5H8BFO3 and a molecular weight of 145.93 g/mol.

Molecular Properties

Compound NameCID 20768277
PubChem CID20768277
Molecular FormulaC5H8BFO3
Molecular Weight145.93 g/mol
Exact Mass146.06
IUPAC Name—
SMILES[B]C1OC(CO)C(O)C1F
InChIInChI=1S/C5H8BFO3/c6-5-3(7)4(9)2(1-8)10-5/h2-5,8-9H,1H2
InChIKeyIHRCXWBHBBZJDG-UHFFFAOYSA-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 20768277?
The IUPAC name of CID 20768277 (CID 20768277) is not available.
What is the SMILES notation for CID 20768277?
The canonical SMILES for CID 20768277 is [B]C1OC(CO)C(O)C1F.
What is the InChIKey of CID 20768277?
The InChIKey is IHRCXWBHBBZJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BFO3/c6-5-3(7)4(9)2(1-8)10-5/h2-5,8-9H,1H2.
What are the key properties of CID 20768277?
CID 20768277 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 20768277 is sourced from PubChem (CID 20768277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).