CID 89043112

C8H7BFO — CID 89043112

IUPAC—
SMILESCc1c(F)ccc2c1CO[B]2
InChIInChI=1S/C8H7BFO/c1-5-6-4-11-9-7(6)2-3-8(5)10/h2-3H,4H2,1H3
InChIKeyNMRFWWFJXXBQET-UHFFFAOYSA-N
MW148.95 g/mol
LogP0.91
Rot. Bonds

About CID 89043112

CID 89043112 (PubChem CID 89043112) has the molecular formula C8H7BFO and a molecular weight of 148.95 g/mol.

Molecular Properties

Compound NameCID 89043112
PubChem CID89043112
Molecular FormulaC8H7BFO
Molecular Weight148.95 g/mol
Exact Mass149.06
IUPAC Name—
SMILESCc1c(F)ccc2c1CO[B]2
InChIInChI=1S/C8H7BFO/c1-5-6-4-11-9-7(6)2-3-8(5)10/h2-3H,4H2,1H3
InChIKeyNMRFWWFJXXBQET-UHFFFAOYSA-N
XLogP0.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.95
LogP ≤ 50.91
H-Bond Donors ≤ 50
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 89043112?
The IUPAC name of CID 89043112 (CID 89043112) is not available.
What is the SMILES notation for CID 89043112?
The canonical SMILES for CID 89043112 is Cc1c(F)ccc2c1CO[B]2.
What is the InChIKey of CID 89043112?
The InChIKey is NMRFWWFJXXBQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BFO/c1-5-6-4-11-9-7(6)2-3-8(5)10/h2-3H,4H2,1H3.
What are the key properties of CID 89043112?
CID 89043112 has a molecular weight of 148.95 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89043112 is sourced from PubChem (CID 89043112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).