[5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid

C13H18BFO3 — CID 66324024

IUPAC[5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid
SMILESOB(O)c1cc(COCC2CCCC2)ccc1F
InChIInChI=1S/C13H18BFO3/c15-13-6-5-11(7-12(13)14(16)17)9-18-8-10-3-1-2-4-10/h5-7,10,16-17H,1-4,8-9H2
InChIKeyPWHXADZYKIITEO-UHFFFAOYSA-N
MW252.09 g/mol
LogP1.21
Rot. Bonds5

About [5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid

[5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid (PubChem CID 66324024) has the molecular formula C13H18BFO3 and a molecular weight of 252.09 g/mol. Its IUPAC name is [5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid
PubChem CID66324024
Molecular FormulaC13H18BFO3
Molecular Weight252.09 g/mol
Exact Mass252.13
IUPAC Name[5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid
SMILESOB(O)c1cc(COCC2CCCC2)ccc1F
InChIInChI=1S/C13H18BFO3/c15-13-6-5-11(7-12(13)14(16)17)9-18-8-10-3-1-2-4-10/h5-7,10,16-17H,1-4,8-9H2
InChIKeyPWHXADZYKIITEO-UHFFFAOYSA-N
XLogP1.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.09
LogP ≤ 51.21
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

2-bromo-4-(cyclopentylmethoxymethyl)-1-fluorobenzene
CID 66322231
4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid
CID 106698414
3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-yn-1-ol
CID 62383927
[2-fluoro-5-(3-methylbutoxymethyl)phenyl]boronic acid
CID 54971119
3-[5-(cyclohexylmethoxymethyl)-2-fluorophenyl]prop-2-enoic acid
CID 76942593
[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]phenyl]boronic acid
CID 112588686
[5-[(3,4-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]boronic acid
CID 64745968
1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107457623
[4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid
CID 65203320
[2-fluoro-5-[(2-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970904
4-(cyclohexylmethoxymethyl)-3-fluorobenzoic acid
CID 63075026
[3-(cyclopentylmethoxymethyl)phenyl]methanamine
CID 66324298

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid?
The IUPAC name of [5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid (CID 66324024) is [5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid.
What is the SMILES notation for [5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid?
The canonical SMILES for [5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid is OB(O)c1cc(COCC2CCCC2)ccc1F.
What is the InChIKey of [5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid?
The InChIKey is PWHXADZYKIITEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BFO3/c15-13-6-5-11(7-12(13)14(16)17)9-18-8-10-3-1-2-4-10/h5-7,10,16-17H,1-4,8-9H2.
What are the key properties of [5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid?
[5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid has a molecular weight of 252.09 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid is sourced from PubChem (CID 66324024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).