(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid

C10H13BFNO2 — CID 147882960

IUPAC(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid
SMILESOB(O)c1ccc(F)cc1N1CCCC1
InChIInChI=1S/C10H13BFNO2/c12-8-3-4-9(11(14)15)10(7-8)13-5-1-2-6-13/h3-4,7,14-15H,1-2,5-6H2
InChIKeyIAUIJAYHNCEQGX-UHFFFAOYSA-N
MW209.03 g/mol
LogP0.11
Rot. Bonds2

About (4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid

(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid (PubChem CID 147882960) has the molecular formula C10H13BFNO2 and a molecular weight of 209.03 g/mol. Its IUPAC name is (4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid.

Molecular Properties

Compound Name(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid
PubChem CID147882960
Molecular FormulaC10H13BFNO2
Molecular Weight209.03 g/mol
Exact Mass209.10
IUPAC Name(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid
SMILESOB(O)c1ccc(F)cc1N1CCCC1
InChIInChI=1S/C10H13BFNO2/c12-8-3-4-9(11(14)15)10(7-8)13-5-1-2-6-13/h3-4,7,14-15H,1-2,5-6H2
InChIKeyIAUIJAYHNCEQGX-UHFFFAOYSA-N
XLogP0.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.03
LogP ≤ 50.11
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

1-(4-fluoro-2-pyrrolidin-1-ylphenyl)ethanone
CID 2113330
1-(2,5-difluorophenyl)piperidine
CID 22638080
1-(4-fluoro-2-methylphenyl)piperidine;methanol
CID 159526986
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
1-(2-bromo-5-fluorophenyl)azepane
CID 84713262
2-(azocan-1-yl)-5-fluoroaniline
CID 28799703
5-fluoro-2-piperidin-1-ylaniline
CID 6485403
2-(azepan-1-yl)-4-fluorobenzoic acid
CID 79686942
(2R)-2-amino-2-(4-fluoro-2-pyrrolidin-1-ylphenyl)propan-1-ol
CID 165351633
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
(2-piperidin-1-ylphenyl)boronic acid
CID 4192666
1-(4-fluoro-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117108338

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid?
The IUPAC name of (4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid (CID 147882960) is (4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid.
What is the SMILES notation for (4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid?
The canonical SMILES for (4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid is OB(O)c1ccc(F)cc1N1CCCC1.
What is the InChIKey of (4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid?
The InChIKey is IAUIJAYHNCEQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BFNO2/c12-8-3-4-9(11(14)15)10(7-8)13-5-1-2-6-13/h3-4,7,14-15H,1-2,5-6H2.
What are the key properties of (4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid?
(4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid has a molecular weight of 209.03 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-pyrrolidin-1-ylphenyl)boronic acid is sourced from PubChem (CID 147882960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).