[5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid

C9H11BFNO2 — CID 55298064

IUPAC[5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid
SMILESNC1(c2ccc(F)c(B(O)O)c2)CC1
InChIInChI=1S/C9H11BFNO2/c11-8-2-1-6(9(12)3-4-9)5-7(8)10(13)14/h1-2,5,13-14H,3-4,12H2
InChIKeyMJYKQIPSRAKRIH-UHFFFAOYSA-N
MW195.00 g/mol
LogP-0.55
Rot. Bonds2

About [5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid

[5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid (PubChem CID 55298064) has the molecular formula C9H11BFNO2 and a molecular weight of 195.00 g/mol. Its IUPAC name is [5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid
PubChem CID55298064
Molecular FormulaC9H11BFNO2
Molecular Weight195.00 g/mol
Exact Mass195.09
IUPAC Name[5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid
SMILESNC1(c2ccc(F)c(B(O)O)c2)CC1
InChIInChI=1S/C9H11BFNO2/c11-8-2-1-6(9(12)3-4-9)5-7(8)10(13)14/h1-2,5,13-14H,3-4,12H2
InChIKeyMJYKQIPSRAKRIH-UHFFFAOYSA-N
XLogP-0.55
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.00
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid?
The IUPAC name of [5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid (CID 55298064) is [5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid.
What is the SMILES notation for [5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid?
The canonical SMILES for [5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid is NC1(c2ccc(F)c(B(O)O)c2)CC1.
What is the InChIKey of [5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid?
The InChIKey is MJYKQIPSRAKRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BFNO2/c11-8-2-1-6(9(12)3-4-9)5-7(8)10(13)14/h1-2,5,13-14H,3-4,12H2.
What are the key properties of [5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid?
[5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid has a molecular weight of 195.00 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-aminocyclopropyl)-2-fluorophenyl]boronic acid is sourced from PubChem (CID 55298064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).