CID 89216449

C7H10BFO2 — CID 89216449

IUPAC—
SMILES[B][C@@H]1C(=C)[C@H](CO)C(O)C1F
InChIInChI=1S/C7H10BFO2/c1-3-4(2-10)7(11)6(9)5(3)8/h4-7,10-11H,1-2H2/t4-,5+,6?,7?/m0/s1
InChIKeySXWQYOSDMTWZCS-IBJXHFRJSA-N
MW155.96 g/mol
LogP-0.18
Rot. Bonds1

About CID 89216449

CID 89216449 (PubChem CID 89216449) has the molecular formula C7H10BFO2 and a molecular weight of 155.96 g/mol.

Molecular Properties

Compound NameCID 89216449
PubChem CID89216449
Molecular FormulaC7H10BFO2
Molecular Weight155.96 g/mol
Exact Mass156.08
IUPAC Name—
SMILES[B][C@@H]1C(=C)[C@H](CO)C(O)C1F
InChIInChI=1S/C7H10BFO2/c1-3-4(2-10)7(11)6(9)5(3)8/h4-7,10-11H,1-2H2/t4-,5+,6?,7?/m0/s1
InChIKeySXWQYOSDMTWZCS-IBJXHFRJSA-N
XLogP-0.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.96
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 89216449?
The IUPAC name of CID 89216449 (CID 89216449) is not available.
What is the SMILES notation for CID 89216449?
The canonical SMILES for CID 89216449 is [B][C@@H]1C(=C)[C@H](CO)C(O)C1F.
What is the InChIKey of CID 89216449?
The InChIKey is SXWQYOSDMTWZCS-IBJXHFRJSA-N. The full InChI is InChI=1S/C7H10BFO2/c1-3-4(2-10)7(11)6(9)5(3)8/h4-7,10-11H,1-2H2/t4-,5+,6?,7?/m0/s1.
What are the key properties of CID 89216449?
CID 89216449 has a molecular weight of 155.96 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89216449 is sourced from PubChem (CID 89216449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).