CID 88916341

C10H10BFO3 — CID 88916341

IUPAC—
SMILES[B][C@@H]1O[C@H](CO)[C@@](O)(C#C)C1(F)C=C=C
InChIInChI=1S/C10H10BFO3/c1-3-5-9(12)8(11)15-7(6-13)10(9,14)4-2/h2,5,7-8,13-14H,1,6H2/t7-,8-,9?,10+/m1/s1
InChIKeyFEUPWNPDCBZFAN-VYQDEHIVSA-N
MW208.00 g/mol
LogP-0.71
Rot. Bonds2

About CID 88916341

CID 88916341 (PubChem CID 88916341) has the molecular formula C10H10BFO3 and a molecular weight of 208.00 g/mol.

Molecular Properties

Compound NameCID 88916341
PubChem CID88916341
Molecular FormulaC10H10BFO3
Molecular Weight208.00 g/mol
Exact Mass208.07
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO)[C@@](O)(C#C)C1(F)C=C=C
InChIInChI=1S/C10H10BFO3/c1-3-5-9(12)8(11)15-7(6-13)10(9,14)4-2/h2,5,7-8,13-14H,1,6H2/t7-,8-,9?,10+/m1/s1
InChIKeyFEUPWNPDCBZFAN-VYQDEHIVSA-N
XLogP-0.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.00
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 88916341?
The IUPAC name of CID 88916341 (CID 88916341) is not available.
What is the SMILES notation for CID 88916341?
The canonical SMILES for CID 88916341 is [B][C@@H]1O[C@H](CO)[C@@](O)(C#C)C1(F)C=C=C.
What is the InChIKey of CID 88916341?
The InChIKey is FEUPWNPDCBZFAN-VYQDEHIVSA-N. The full InChI is InChI=1S/C10H10BFO3/c1-3-5-9(12)8(11)15-7(6-13)10(9,14)4-2/h2,5,7-8,13-14H,1,6H2/t7-,8-,9?,10+/m1/s1.
What are the key properties of CID 88916341?
CID 88916341 has a molecular weight of 208.00 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88916341 is sourced from PubChem (CID 88916341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).