CID 88916342

C10H14BFO3 — CID 88916342

IUPAC—
SMILES[B][C@@H]1O[C@H](CO)[C@H](O)C1(F)C=C=C(C)C
InChIInChI=1S/C10H14BFO3/c1-6(2)3-4-10(12)8(14)7(5-13)15-9(10)11/h4,7-9,13-14H,5H2,1-2H3/t7-,8+,9-,10?/m1/s1
InChIKeyVTTKKHBNHSFGKH-WSSOQDAQSA-N
MW212.03 g/mol
LogP0.06
Rot. Bonds2

About CID 88916342

CID 88916342 (PubChem CID 88916342) has the molecular formula C10H14BFO3 and a molecular weight of 212.03 g/mol.

Molecular Properties

Compound NameCID 88916342
PubChem CID88916342
Molecular FormulaC10H14BFO3
Molecular Weight212.03 g/mol
Exact Mass212.10
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO)[C@H](O)C1(F)C=C=C(C)C
InChIInChI=1S/C10H14BFO3/c1-6(2)3-4-10(12)8(14)7(5-13)15-9(10)11/h4,7-9,13-14H,5H2,1-2H3/t7-,8+,9-,10?/m1/s1
InChIKeyVTTKKHBNHSFGKH-WSSOQDAQSA-N
XLogP0.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 50.06
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 88916342?
The IUPAC name of CID 88916342 (CID 88916342) is not available.
What is the SMILES notation for CID 88916342?
The canonical SMILES for CID 88916342 is [B][C@@H]1O[C@H](CO)[C@H](O)C1(F)C=C=C(C)C.
What is the InChIKey of CID 88916342?
The InChIKey is VTTKKHBNHSFGKH-WSSOQDAQSA-N. The full InChI is InChI=1S/C10H14BFO3/c1-6(2)3-4-10(12)8(14)7(5-13)15-9(10)11/h4,7-9,13-14H,5H2,1-2H3/t7-,8+,9-,10?/m1/s1.
What are the key properties of CID 88916342?
CID 88916342 has a molecular weight of 212.03 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88916342 is sourced from PubChem (CID 88916342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).