CID 67108604

C7H5BF3O2 — CID 67108604

IUPAC—
SMILESFC(F)(F)c1cc2ccc1-2.O[B]O
InChIInChI=1S/C7H3F3.BH2O2/c8-7(9,10)6-3-4-1-2-5(4)6;2-1-3/h1-3H;2-3H
InChIKeyOUZKQVVMFFKHEH-UHFFFAOYSA-N
MW188.92 g/mol
LogP1.19
Rot. Bonds

About CID 67108604

CID 67108604 (PubChem CID 67108604) has the molecular formula C7H5BF3O2 and a molecular weight of 188.92 g/mol.

Molecular Properties

Compound NameCID 67108604
PubChem CID67108604
Molecular FormulaC7H5BF3O2
Molecular Weight188.92 g/mol
Exact Mass189.03
IUPAC Name—
SMILESFC(F)(F)c1cc2ccc1-2.O[B]O
InChIInChI=1S/C7H3F3.BH2O2/c8-7(9,10)6-3-4-1-2-5(4)6;2-1-3/h1-3H;2-3H
InChIKeyOUZKQVVMFFKHEH-UHFFFAOYSA-N
XLogP1.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.92
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 67108604?
The IUPAC name of CID 67108604 (CID 67108604) is not available.
What is the SMILES notation for CID 67108604?
The canonical SMILES for CID 67108604 is FC(F)(F)c1cc2ccc1-2.O[B]O.
What is the InChIKey of CID 67108604?
The InChIKey is OUZKQVVMFFKHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3.BH2O2/c8-7(9,10)6-3-4-1-2-5(4)6;2-1-3/h1-3H;2-3H.
What are the key properties of CID 67108604?
CID 67108604 has a molecular weight of 188.92 g/mol, XLogP of 1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67108604 is sourced from PubChem (CID 67108604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).