2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H24BFO3 — CID 138753069

IUPAC2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cc(OC3CCCC3)ccc2F)OC1(C)C
InChIInChI=1S/C17H24BFO3/c1-16(2)17(3,4)22-18(21-16)14-11-13(9-10-15(14)19)20-12-7-5-6-8-12/h9-12H,5-8H2,1-4H3
InChIKeyKPCZUDKFDTVEMG-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.45
Rot. Bonds3

About 2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 138753069) has the molecular formula C17H24BFO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID138753069
Molecular FormulaC17H24BFO3
Molecular Weight306.19 g/mol
Exact Mass306.18
IUPAC Name2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2cc(OC3CCCC3)ccc2F)OC1(C)C
InChIInChI=1S/C17H24BFO3/c1-16(2)17(3,4)22-18(21-16)14-11-13(9-10-15(14)19)20-12-7-5-6-8-12/h9-12H,5-8H2,1-4H3
InChIKeyKPCZUDKFDTVEMG-UHFFFAOYSA-N
XLogP3.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 138753069) is 2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2cc(OC3CCCC3)ccc2F)OC1(C)C.
What is the InChIKey of 2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is KPCZUDKFDTVEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BFO3/c1-16(2)17(3,4)22-18(21-16)14-11-13(9-10-15(14)19)20-12-7-5-6-8-12/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 306.19 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyloxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 138753069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).