CID 89164197

C7H5BF2 — CID 89164197

IUPAC—
SMILES[B]c1ccccc1C(F)F
InChIInChI=1S/C7H5BF2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H
InChIKeyBEPVKIHGLBMHJD-UHFFFAOYSA-N
MW137.92 g/mol
LogP1.42
Rot. Bonds1

About CID 89164197

CID 89164197 (PubChem CID 89164197) has the molecular formula C7H5BF2 and a molecular weight of 137.92 g/mol.

Molecular Properties

Compound NameCID 89164197
PubChem CID89164197
Molecular FormulaC7H5BF2
Molecular Weight137.92 g/mol
Exact Mass138.05
IUPAC Name—
SMILES[B]c1ccccc1C(F)F
InChIInChI=1S/C7H5BF2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H
InChIKeyBEPVKIHGLBMHJD-UHFFFAOYSA-N
XLogP1.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.92
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 89164197?
The IUPAC name of CID 89164197 (CID 89164197) is not available.
What is the SMILES notation for CID 89164197?
The canonical SMILES for CID 89164197 is [B]c1ccccc1C(F)F.
What is the InChIKey of CID 89164197?
The InChIKey is BEPVKIHGLBMHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BF2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H.
What are the key properties of CID 89164197?
CID 89164197 has a molecular weight of 137.92 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89164197 is sourced from PubChem (CID 89164197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).