CID 88916335

C8H10BFO3 — CID 88916335

IUPAC—
SMILES[B][C@@H]1O[C@H](CO)[C@H](O)C1(F)C=C=C
InChIInChI=1S/C8H10BFO3/c1-2-3-8(10)6(12)5(4-11)13-7(8)9/h3,5-7,11-12H,1,4H2/t5-,6+,7-,8?/m1/s1
InChIKeyXETWAWIPIBUTOG-MOMMNUENSA-N
MW183.97 g/mol
LogP-0.72
Rot. Bonds2

About CID 88916335

CID 88916335 (PubChem CID 88916335) has the molecular formula C8H10BFO3 and a molecular weight of 183.97 g/mol.

Molecular Properties

Compound NameCID 88916335
PubChem CID88916335
Molecular FormulaC8H10BFO3
Molecular Weight183.97 g/mol
Exact Mass184.07
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO)[C@H](O)C1(F)C=C=C
InChIInChI=1S/C8H10BFO3/c1-2-3-8(10)6(12)5(4-11)13-7(8)9/h3,5-7,11-12H,1,4H2/t5-,6+,7-,8?/m1/s1
InChIKeyXETWAWIPIBUTOG-MOMMNUENSA-N
XLogP-0.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.97
LogP ≤ 5-0.72
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 88916335?
The IUPAC name of CID 88916335 (CID 88916335) is not available.
What is the SMILES notation for CID 88916335?
The canonical SMILES for CID 88916335 is [B][C@@H]1O[C@H](CO)[C@H](O)C1(F)C=C=C.
What is the InChIKey of CID 88916335?
The InChIKey is XETWAWIPIBUTOG-MOMMNUENSA-N. The full InChI is InChI=1S/C8H10BFO3/c1-2-3-8(10)6(12)5(4-11)13-7(8)9/h3,5-7,11-12H,1,4H2/t5-,6+,7-,8?/m1/s1.
What are the key properties of CID 88916335?
CID 88916335 has a molecular weight of 183.97 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88916335 is sourced from PubChem (CID 88916335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).