CID 59267249

C6H10BFO3 — CID 59267249

IUPAC—
SMILES[B][C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)F
InChIInChI=1S/C6H10BFO3/c1-6(8)4(10)3(2-9)11-5(6)7/h3-5,9-10H,2H2,1H3/t3-,4-,5-,6-/m1/s1
InChIKeyDIKASWJYZAIKCC-KVTDHHQDSA-N
MW159.95 g/mol
LogP-1.04
Rot. Bonds1

About CID 59267249

CID 59267249 (PubChem CID 59267249) has the molecular formula C6H10BFO3 and a molecular weight of 159.95 g/mol.

Molecular Properties

Compound NameCID 59267249
PubChem CID59267249
Molecular FormulaC6H10BFO3
Molecular Weight159.95 g/mol
Exact Mass160.07
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)F
InChIInChI=1S/C6H10BFO3/c1-6(8)4(10)3(2-9)11-5(6)7/h3-5,9-10H,2H2,1H3/t3-,4-,5-,6-/m1/s1
InChIKeyDIKASWJYZAIKCC-KVTDHHQDSA-N
XLogP-1.04
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.95
LogP ≤ 5-1.04
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 59267249?
The IUPAC name of CID 59267249 (CID 59267249) is not available.
What is the SMILES notation for CID 59267249?
The canonical SMILES for CID 59267249 is [B][C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)F.
What is the InChIKey of CID 59267249?
The InChIKey is DIKASWJYZAIKCC-KVTDHHQDSA-N. The full InChI is InChI=1S/C6H10BFO3/c1-6(8)4(10)3(2-9)11-5(6)7/h3-5,9-10H,2H2,1H3/t3-,4-,5-,6-/m1/s1.
What are the key properties of CID 59267249?
CID 59267249 has a molecular weight of 159.95 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59267249 is sourced from PubChem (CID 59267249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).