(2-fluorophenyl)-methylborinic acid

C7H8BFO — CID 123369063

IUPAC(2-fluorophenyl)-methylborinic acid
SMILESCB(O)c1ccccc1F
InChIInChI=1S/C7H8BFO/c1-8(10)6-4-2-3-5-7(6)9/h2-5,10H,1H3
InChIKeyBYTOCLALXWBCKO-UHFFFAOYSA-N
MW137.95 g/mol
LogP0.65
Rot. Bonds1

About (2-fluorophenyl)-methylborinic acid

(2-fluorophenyl)-methylborinic acid (PubChem CID 123369063) has the molecular formula C7H8BFO and a molecular weight of 137.95 g/mol. Its IUPAC name is (2-fluorophenyl)-methylborinic acid.

Molecular Properties

Compound Name(2-fluorophenyl)-methylborinic acid
PubChem CID123369063
Molecular FormulaC7H8BFO
Molecular Weight137.95 g/mol
Exact Mass138.07
IUPAC Name(2-fluorophenyl)-methylborinic acid
SMILESCB(O)c1ccccc1F
InChIInChI=1S/C7H8BFO/c1-8(10)6-4-2-3-5-7(6)9/h2-5,10H,1H3
InChIKeyBYTOCLALXWBCKO-UHFFFAOYSA-N
XLogP0.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.95
LogP ≤ 50.65
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 (2-fluorophenyl)-methylborinic acid?
The IUPAC name of (2-fluorophenyl)-methylborinic acid (CID 123369063) is (2-fluorophenyl)-methylborinic acid.
What is the SMILES notation for (2-fluorophenyl)-methylborinic acid?
The canonical SMILES for (2-fluorophenyl)-methylborinic acid is CB(O)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-methylborinic acid?
The InChIKey is BYTOCLALXWBCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BFO/c1-8(10)6-4-2-3-5-7(6)9/h2-5,10H,1H3.
What are the key properties of (2-fluorophenyl)-methylborinic acid?
(2-fluorophenyl)-methylborinic acid has a molecular weight of 137.95 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-methylborinic acid is sourced from PubChem (CID 123369063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).