CID 88874938

C11H11BFNO2 — CID 88874938

IUPAC—
SMILES[B]c1ccc(N2CC(CO)CC2=O)c(F)c1
InChIInChI=1S/C11H11BFNO2/c12-8-1-2-10(9(13)4-8)14-5-7(6-15)3-11(14)16/h1-2,4,7,15H,3,5-6H2
InChIKeyQKQUMJHNZQSMAT-UHFFFAOYSA-N
MW219.02 g/mol
LogP-0.04
Rot. Bonds2

About CID 88874938

CID 88874938 (PubChem CID 88874938) has the molecular formula C11H11BFNO2 and a molecular weight of 219.02 g/mol.

Molecular Properties

Compound NameCID 88874938
PubChem CID88874938
Molecular FormulaC11H11BFNO2
Molecular Weight219.02 g/mol
Exact Mass219.09
IUPAC Name—
SMILES[B]c1ccc(N2CC(CO)CC2=O)c(F)c1
InChIInChI=1S/C11H11BFNO2/c12-8-1-2-10(9(13)4-8)14-5-7(6-15)3-11(14)16/h1-2,4,7,15H,3,5-6H2
InChIKeyQKQUMJHNZQSMAT-UHFFFAOYSA-N
XLogP-0.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.02
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
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 88874938?
The IUPAC name of CID 88874938 (CID 88874938) is not available.
What is the SMILES notation for CID 88874938?
The canonical SMILES for CID 88874938 is [B]c1ccc(N2CC(CO)CC2=O)c(F)c1.
What is the InChIKey of CID 88874938?
The InChIKey is QKQUMJHNZQSMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BFNO2/c12-8-1-2-10(9(13)4-8)14-5-7(6-15)3-11(14)16/h1-2,4,7,15H,3,5-6H2.
What are the key properties of CID 88874938?
CID 88874938 has a molecular weight of 219.02 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88874938 is sourced from PubChem (CID 88874938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).