CID 89344187

C7H6BF2O — CID 89344187

IUPAC—
SMILESC[B]c1cc(F)cc(F)c1O
InChIInChI=1S/C7H6BF2O/c1-8-5-2-4(9)3-6(10)7(5)11/h2-3,11H,1H3
InChIKeySVYPUCIAZISPBX-UHFFFAOYSA-N
MW154.93 g/mol
LogP1.05
Rot. Bonds1

About CID 89344187

CID 89344187 (PubChem CID 89344187) has the molecular formula C7H6BF2O and a molecular weight of 154.93 g/mol.

Molecular Properties

Compound NameCID 89344187
PubChem CID89344187
Molecular FormulaC7H6BF2O
Molecular Weight154.93 g/mol
Exact Mass155.05
IUPAC Name—
SMILESC[B]c1cc(F)cc(F)c1O
InChIInChI=1S/C7H6BF2O/c1-8-5-2-4(9)3-6(10)7(5)11/h2-3,11H,1H3
InChIKeySVYPUCIAZISPBX-UHFFFAOYSA-N
XLogP1.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.93
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 89344187?
The IUPAC name of CID 89344187 (CID 89344187) is not available.
What is the SMILES notation for CID 89344187?
The canonical SMILES for CID 89344187 is C[B]c1cc(F)cc(F)c1O.
What is the InChIKey of CID 89344187?
The InChIKey is SVYPUCIAZISPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BF2O/c1-8-5-2-4(9)3-6(10)7(5)11/h2-3,11H,1H3.
What are the key properties of CID 89344187?
CID 89344187 has a molecular weight of 154.93 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89344187 is sourced from PubChem (CID 89344187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).