CID 89172827

C7H11BFNO — CID 89172827

IUPAC—
SMILES[B]N1CCC/C(=C(\F)CO)C1
InChIInChI=1S/C7H11BFNO/c8-10-3-1-2-6(4-10)7(9)5-11/h11H,1-5H2/b7-6+
InChIKeyFMUBVOTZOYEZRI-VOTSOKGWSA-N
MW154.98 g/mol
LogP0.38
Rot. Bonds1

About CID 89172827

CID 89172827 (PubChem CID 89172827) has the molecular formula C7H11BFNO and a molecular weight of 154.98 g/mol.

Molecular Properties

Compound NameCID 89172827
PubChem CID89172827
Molecular FormulaC7H11BFNO
Molecular Weight154.98 g/mol
Exact Mass155.09
IUPAC Name—
SMILES[B]N1CCC/C(=C(\F)CO)C1
InChIInChI=1S/C7H11BFNO/c8-10-3-1-2-6(4-10)7(9)5-11/h11H,1-5H2/b7-6+
InChIKeyFMUBVOTZOYEZRI-VOTSOKGWSA-N
XLogP0.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.98
LogP ≤ 50.38
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 89172827?
The IUPAC name of CID 89172827 (CID 89172827) is not available.
What is the SMILES notation for CID 89172827?
The canonical SMILES for CID 89172827 is [B]N1CCC/C(=C(\F)CO)C1.
What is the InChIKey of CID 89172827?
The InChIKey is FMUBVOTZOYEZRI-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H11BFNO/c8-10-3-1-2-6(4-10)7(9)5-11/h11H,1-5H2/b7-6+.
What are the key properties of CID 89172827?
CID 89172827 has a molecular weight of 154.98 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89172827 is sourced from PubChem (CID 89172827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).