[4-(4-fluorocyclohexyl)phenyl]boronic acid

C12H16BFO2 — CID 141461374

IUPAC[4-(4-fluorocyclohexyl)phenyl]boronic acid
SMILESOB(O)c1ccc(C2CCC(F)CC2)cc1
InChIInChI=1S/C12H16BFO2/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-2,5-6,10,12,15-16H,3-4,7-8H2
InChIKeyDPUMBPBMCIZEJE-UHFFFAOYSA-N
MW222.07 g/mol
LogP1.36
Rot. Bonds2

About [4-(4-fluorocyclohexyl)phenyl]boronic acid

[4-(4-fluorocyclohexyl)phenyl]boronic acid (PubChem CID 141461374) has the molecular formula C12H16BFO2 and a molecular weight of 222.07 g/mol. Its IUPAC name is [4-(4-fluorocyclohexyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(4-fluorocyclohexyl)phenyl]boronic acid
PubChem CID141461374
Molecular FormulaC12H16BFO2
Molecular Weight222.07 g/mol
Exact Mass222.12
IUPAC Name[4-(4-fluorocyclohexyl)phenyl]boronic acid
SMILESOB(O)c1ccc(C2CCC(F)CC2)cc1
InChIInChI=1S/C12H16BFO2/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-2,5-6,10,12,15-16H,3-4,7-8H2
InChIKeyDPUMBPBMCIZEJE-UHFFFAOYSA-N
XLogP1.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(1,1-dihydroxythian-4-yl)phenyl]boronic acid
CID 174056041
1-fluoro-4-(4-fluorocyclohexyl)benzene
CID 23539867
1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
CID 23539864
[4-[1-(benzenesulfonyl)piperidin-4-yl]phenyl]boronic acid
CID 58343660
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
[4-[[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methyl]phenyl]boronic acid
CID 68627108
1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]boronic acid
CID 99773063
[4-(5H-tetrazol-5-yl)phenyl]boronic acid
CID 156656738
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
[5-cyclopropyl-2-(trifluoromethyl)phenyl]boronic acid
CID 66521483

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorocyclohexyl)phenyl]boronic acid?
The IUPAC name of [4-(4-fluorocyclohexyl)phenyl]boronic acid (CID 141461374) is [4-(4-fluorocyclohexyl)phenyl]boronic acid.
What is the SMILES notation for [4-(4-fluorocyclohexyl)phenyl]boronic acid?
The canonical SMILES for [4-(4-fluorocyclohexyl)phenyl]boronic acid is OB(O)c1ccc(C2CCC(F)CC2)cc1.
What is the InChIKey of [4-(4-fluorocyclohexyl)phenyl]boronic acid?
The InChIKey is DPUMBPBMCIZEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BFO2/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-2,5-6,10,12,15-16H,3-4,7-8H2.
What are the key properties of [4-(4-fluorocyclohexyl)phenyl]boronic acid?
[4-(4-fluorocyclohexyl)phenyl]boronic acid has a molecular weight of 222.07 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorocyclohexyl)phenyl]boronic acid is sourced from PubChem (CID 141461374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).