(3-cyclopentyloxy-5-fluorophenyl)boronic acid

C11H14BFO3 — CID 81332075

IUPAC(3-cyclopentyloxy-5-fluorophenyl)boronic acid
SMILESOB(O)c1cc(F)cc(OC2CCCC2)c1
InChIInChI=1S/C11H14BFO3/c13-9-5-8(12(14)15)6-11(7-9)16-10-3-1-2-4-10/h5-7,10,14-15H,1-4H2
InChIKeyFOMACDWQFNRJFF-UHFFFAOYSA-N
MW224.04 g/mol
LogP0.83
Rot. Bonds3

About (3-cyclopentyloxy-5-fluorophenyl)boronic acid

(3-cyclopentyloxy-5-fluorophenyl)boronic acid (PubChem CID 81332075) has the molecular formula C11H14BFO3 and a molecular weight of 224.04 g/mol. Its IUPAC name is (3-cyclopentyloxy-5-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(3-cyclopentyloxy-5-fluorophenyl)boronic acid
PubChem CID81332075
Molecular FormulaC11H14BFO3
Molecular Weight224.04 g/mol
Exact Mass224.10
IUPAC Name(3-cyclopentyloxy-5-fluorophenyl)boronic acid
SMILESOB(O)c1cc(F)cc(OC2CCCC2)c1
InChIInChI=1S/C11H14BFO3/c13-9-5-8(12(14)15)6-11(7-9)16-10-3-1-2-4-10/h5-7,10,14-15H,1-4H2
InChIKeyFOMACDWQFNRJFF-UHFFFAOYSA-N
XLogP0.83
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(5-cyclobutyloxy-3-pyridinyl)boronic acid
CID 66521116
(4-cyclopentyloxyphenyl)boronic acid
CID 23005412
1-bromo-3-cyclohexyloxy-5-fluorobenzene
CID 81332187
[3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid
CID 81332154
1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene
CID 167514172
(6-cyclobutyloxynaphthalen-2-yl)boronic acid
CID 140913385
(3-cycloheptyloxy-4-fluorophenyl)boronic acid
CID 114674835
3-(3-cyclohexyloxy-5-fluorophenyl)prop-2-yn-1-ol
CID 81325582
3,5-dicyclohexyloxyphenol
CID 21489857
(3R)-3-(3,5-difluorophenoxy)piperidine
CID 94586724
3-(3-ethylcyclohexyl)oxy-5-fluoroaniline
CID 80752534
1-(3-chloroprop-1-ynyl)-3-cyclohexyloxy-5-fluorobenzene
CID 81326053

Frequently Asked Questions

What is the IUPAC name of (3-cyclopentyloxy-5-fluorophenyl)boronic acid?
The IUPAC name of (3-cyclopentyloxy-5-fluorophenyl)boronic acid (CID 81332075) is (3-cyclopentyloxy-5-fluorophenyl)boronic acid.
What is the SMILES notation for (3-cyclopentyloxy-5-fluorophenyl)boronic acid?
The canonical SMILES for (3-cyclopentyloxy-5-fluorophenyl)boronic acid is OB(O)c1cc(F)cc(OC2CCCC2)c1.
What is the InChIKey of (3-cyclopentyloxy-5-fluorophenyl)boronic acid?
The InChIKey is FOMACDWQFNRJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BFO3/c13-9-5-8(12(14)15)6-11(7-9)16-10-3-1-2-4-10/h5-7,10,14-15H,1-4H2.
What are the key properties of (3-cyclopentyloxy-5-fluorophenyl)boronic acid?
(3-cyclopentyloxy-5-fluorophenyl)boronic acid has a molecular weight of 224.04 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentyloxy-5-fluorophenyl)boronic acid is sourced from PubChem (CID 81332075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).