CID 175309545

C10H9BFO2 — CID 175309545

IUPAC—
SMILESFc1cccc2ccccc12.O[B]O
InChIInChI=1S/C10H7F.BH2O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1-3/h1-7H;2-3H
InChIKeyFAEPOMXGKYUSCV-UHFFFAOYSA-N
MW190.99 g/mol
LogP1.48
Rot. Bonds

About CID 175309545

CID 175309545 (PubChem CID 175309545) has the molecular formula C10H9BFO2 and a molecular weight of 190.99 g/mol.

Molecular Properties

Compound NameCID 175309545
PubChem CID175309545
Molecular FormulaC10H9BFO2
Molecular Weight190.99 g/mol
Exact Mass191.07
IUPAC Name—
SMILESFc1cccc2ccccc12.O[B]O
InChIInChI=1S/C10H7F.BH2O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1-3/h1-7H;2-3H
InChIKeyFAEPOMXGKYUSCV-UHFFFAOYSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.99
LogP ≤ 51.48
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 175309545?
The IUPAC name of CID 175309545 (CID 175309545) is not available.
What is the SMILES notation for CID 175309545?
The canonical SMILES for CID 175309545 is Fc1cccc2ccccc12.O[B]O.
What is the InChIKey of CID 175309545?
The InChIKey is FAEPOMXGKYUSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F.BH2O2/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1-3/h1-7H;2-3H.
What are the key properties of CID 175309545?
CID 175309545 has a molecular weight of 190.99 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175309545 is sourced from PubChem (CID 175309545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).