[4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid

C16H23BFNO2 — CID 63158975

IUPAC[4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid
SMILESOB(O)c1ccc(CN2CCC3(CCCC3)CC2)c(F)c1
InChIInChI=1S/C16H23BFNO2/c18-15-11-14(17(20)21)4-3-13(15)12-19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11,20-21H,1-2,5-10,12H2
InChIKeyHOHZWSOYOZIVNE-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.66
Rot. Bonds3

About [4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid

[4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid (PubChem CID 63158975) has the molecular formula C16H23BFNO2 and a molecular weight of 291.17 g/mol. Its IUPAC name is [4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid
PubChem CID63158975
Molecular FormulaC16H23BFNO2
Molecular Weight291.17 g/mol
Exact Mass291.18
IUPAC Name[4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid
SMILESOB(O)c1ccc(CN2CCC3(CCCC3)CC2)c(F)c1
InChIInChI=1S/C16H23BFNO2/c18-15-11-14(17(20)21)4-3-13(15)12-19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11,20-21H,1-2,5-10,12H2
InChIKeyHOHZWSOYOZIVNE-UHFFFAOYSA-N
XLogP1.66
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.66
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

[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid
CID 91759296
[4-(3-azaspiro[5.5]undecan-3-ylmethyl)phenyl]boronic acid
CID 62932300
[3-fluoro-4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 107394509
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]boronic acid
CID 75485818
[3-fluoro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]boronic acid
CID 54970567
[2-(3-azaspiro[5.5]undecan-3-ylmethyl)-4-fluorophenyl]methanamine
CID 64769291
[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-fluorophenyl]boronic acid
CID 63635022
[4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-3-fluorophenyl]boronic acid
CID 63164778
2-(8-azaspiro[4.5]decan-8-ylmethyl)phenol
CID 82979925
1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107454972
[4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-fluorophenyl]boronic acid
CID 54980588
[3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine
CID 107113370

Frequently Asked Questions

What is the IUPAC name of [4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid?
The IUPAC name of [4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid (CID 63158975) is [4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid.
What is the SMILES notation for [4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid?
The canonical SMILES for [4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid is OB(O)c1ccc(CN2CCC3(CCCC3)CC2)c(F)c1.
What is the InChIKey of [4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid?
The InChIKey is HOHZWSOYOZIVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BFNO2/c18-15-11-14(17(20)21)4-3-13(15)12-19-9-7-16(8-10-19)5-1-2-6-16/h3-4,11,20-21H,1-2,5-10,12H2.
What are the key properties of [4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid?
[4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid has a molecular weight of 291.17 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-azaspiro[4.5]decan-8-ylmethyl)-3-fluorophenyl]boronic acid is sourced from PubChem (CID 63158975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).