(3-butyl-1-fluorocyclopentyl)boronic acid

C9H18BFO2 — CID 142761201

IUPAC(3-butyl-1-fluorocyclopentyl)boronic acid
SMILESCCCCC1CCC(F)(B(O)O)C1
InChIInChI=1S/C9H18BFO2/c1-2-3-4-8-5-6-9(11,7-8)10(12)13/h8,12-13H,2-7H2,1H3
InChIKeyKBYAMYHSIWAEJZ-UHFFFAOYSA-N
MW188.05 g/mol
LogP1.70
Rot. Bonds4

About (3-butyl-1-fluorocyclopentyl)boronic acid

(3-butyl-1-fluorocyclopentyl)boronic acid (PubChem CID 142761201) has the molecular formula C9H18BFO2 and a molecular weight of 188.05 g/mol. Its IUPAC name is (3-butyl-1-fluorocyclopentyl)boronic acid.

Molecular Properties

Compound Name(3-butyl-1-fluorocyclopentyl)boronic acid
PubChem CID142761201
Molecular FormulaC9H18BFO2
Molecular Weight188.05 g/mol
Exact Mass188.14
IUPAC Name(3-butyl-1-fluorocyclopentyl)boronic acid
SMILESCCCCC1CCC(F)(B(O)O)C1
InChIInChI=1S/C9H18BFO2/c1-2-3-4-8-5-6-9(11,7-8)10(12)13/h8,12-13H,2-7H2,1H3
InChIKeyKBYAMYHSIWAEJZ-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.05
LogP ≤ 51.70
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 (3-butyl-1-fluorocyclopentyl)boronic acid?
The IUPAC name of (3-butyl-1-fluorocyclopentyl)boronic acid (CID 142761201) is (3-butyl-1-fluorocyclopentyl)boronic acid.
What is the SMILES notation for (3-butyl-1-fluorocyclopentyl)boronic acid?
The canonical SMILES for (3-butyl-1-fluorocyclopentyl)boronic acid is CCCCC1CCC(F)(B(O)O)C1.
What is the InChIKey of (3-butyl-1-fluorocyclopentyl)boronic acid?
The InChIKey is KBYAMYHSIWAEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BFO2/c1-2-3-4-8-5-6-9(11,7-8)10(12)13/h8,12-13H,2-7H2,1H3.
What are the key properties of (3-butyl-1-fluorocyclopentyl)boronic acid?
(3-butyl-1-fluorocyclopentyl)boronic acid has a molecular weight of 188.05 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-1-fluorocyclopentyl)boronic acid is sourced from PubChem (CID 142761201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).