CID 21037009

C7H11BFNO — CID 21037009

IUPAC—
SMILES[B]C(=O)N1CCC(C)(F)CC1
InChIInChI=1S/C7H11BFNO/c1-7(9)2-4-10(5-3-7)6(8)11/h2-5H2,1H3
InChIKeyQJPKBPDWAWWEBW-UHFFFAOYSA-N
MW154.98 g/mol
LogP1.10
Rot. Bonds

About CID 21037009

CID 21037009 (PubChem CID 21037009) has the molecular formula C7H11BFNO and a molecular weight of 154.98 g/mol.

Molecular Properties

Compound NameCID 21037009
PubChem CID21037009
Molecular FormulaC7H11BFNO
Molecular Weight154.98 g/mol
Exact Mass155.09
IUPAC Name—
SMILES[B]C(=O)N1CCC(C)(F)CC1
InChIInChI=1S/C7H11BFNO/c1-7(9)2-4-10(5-3-7)6(8)11/h2-5H2,1H3
InChIKeyQJPKBPDWAWWEBW-UHFFFAOYSA-N
XLogP1.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.98
LogP ≤ 51.10
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 21037009?
The IUPAC name of CID 21037009 (CID 21037009) is not available.
What is the SMILES notation for CID 21037009?
The canonical SMILES for CID 21037009 is [B]C(=O)N1CCC(C)(F)CC1.
What is the InChIKey of CID 21037009?
The InChIKey is QJPKBPDWAWWEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BFNO/c1-7(9)2-4-10(5-3-7)6(8)11/h2-5H2,1H3.
What are the key properties of CID 21037009?
CID 21037009 has a molecular weight of 154.98 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21037009 is sourced from PubChem (CID 21037009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).