[4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid

C12H16BFO3 — CID 65203320

IUPAC[4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid
SMILESOB(O)c1ccc(OCC2CCCC2)cc1F
InChIInChI=1S/C12H16BFO3/c14-12-7-10(5-6-11(12)13(15)16)17-8-9-3-1-2-4-9/h5-7,9,15-16H,1-4,8H2
InChIKeyTXVXLSMFQJONKR-UHFFFAOYSA-N
MW238.07 g/mol
LogP1.07
Rot. Bonds4

About [4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid

[4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid (PubChem CID 65203320) has the molecular formula C12H16BFO3 and a molecular weight of 238.07 g/mol. Its IUPAC name is [4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid
PubChem CID65203320
Molecular FormulaC12H16BFO3
Molecular Weight238.07 g/mol
Exact Mass238.12
IUPAC Name[4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid
SMILESOB(O)c1ccc(OCC2CCCC2)cc1F
InChIInChI=1S/C12H16BFO3/c14-12-7-10(5-6-11(12)13(15)16)17-8-9-3-1-2-4-9/h5-7,9,15-16H,1-4,8H2
InChIKeyTXVXLSMFQJONKR-UHFFFAOYSA-N
XLogP1.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 51.07
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-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 79182948
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
[4-(4-ethylcyclohexyl)oxy-2-fluorophenyl]boronic acid
CID 65203571
[4-[(3,4-difluorophenoxy)methyl]cyclohexyl]methanol
CID 139623977
(2-fluoro-4-nonoxyphenyl)boronic acid
CID 23005431
[4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid
CID 174763005
[2-fluoro-4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]boronic acid
CID 65203771
[5-(cyclopentylmethoxymethyl)-2-fluorophenyl]boronic acid
CID 66324024
4-(cyclopentylmethoxy)-2-methylaniline
CID 26190241
4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047
4-(cyclopropylmethoxy)-1-fluoro-2-propylbenzene;propane
CID 142580919
1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
CID 107715743

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid?
The IUPAC name of [4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid (CID 65203320) is [4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid.
What is the SMILES notation for [4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid?
The canonical SMILES for [4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid is OB(O)c1ccc(OCC2CCCC2)cc1F.
What is the InChIKey of [4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid?
The InChIKey is TXVXLSMFQJONKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BFO3/c14-12-7-10(5-6-11(12)13(15)16)17-8-9-3-1-2-4-9/h5-7,9,15-16H,1-4,8H2.
What are the key properties of [4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid?
[4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid has a molecular weight of 238.07 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid is sourced from PubChem (CID 65203320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).