[4-(fluoromethyl)-1H-indol-2-yl]boronic acid

C9H9BFNO2 — CID 90840731

IUPAC[4-(fluoromethyl)-1H-indol-2-yl]boronic acid
SMILESOB(O)c1cc2c(CF)cccc2[nH]1
InChIInChI=1S/C9H9BFNO2/c11-5-6-2-1-3-8-7(6)4-9(12-8)10(13)14/h1-4,12-14H,5H2
InChIKeyVQKHCFCAXXKTRX-UHFFFAOYSA-N
MW192.99 g/mol
LogP0.32
Rot. Bonds2

About [4-(fluoromethyl)-1H-indol-2-yl]boronic acid

[4-(fluoromethyl)-1H-indol-2-yl]boronic acid (PubChem CID 90840731) has the molecular formula C9H9BFNO2 and a molecular weight of 192.99 g/mol. Its IUPAC name is [4-(fluoromethyl)-1H-indol-2-yl]boronic acid.

Molecular Properties

Compound Name[4-(fluoromethyl)-1H-indol-2-yl]boronic acid
PubChem CID90840731
Molecular FormulaC9H9BFNO2
Molecular Weight192.99 g/mol
Exact Mass193.07
IUPAC Name[4-(fluoromethyl)-1H-indol-2-yl]boronic acid
SMILESOB(O)c1cc2c(CF)cccc2[nH]1
InChIInChI=1S/C9H9BFNO2/c11-5-6-2-1-3-8-7(6)4-9(12-8)10(13)14/h1-4,12-14H,5H2
InChIKeyVQKHCFCAXXKTRX-UHFFFAOYSA-N
XLogP0.32
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.99
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 [4-(fluoromethyl)-1H-indol-2-yl]boronic acid?
The IUPAC name of [4-(fluoromethyl)-1H-indol-2-yl]boronic acid (CID 90840731) is [4-(fluoromethyl)-1H-indol-2-yl]boronic acid.
What is the SMILES notation for [4-(fluoromethyl)-1H-indol-2-yl]boronic acid?
The canonical SMILES for [4-(fluoromethyl)-1H-indol-2-yl]boronic acid is OB(O)c1cc2c(CF)cccc2[nH]1.
What is the InChIKey of [4-(fluoromethyl)-1H-indol-2-yl]boronic acid?
The InChIKey is VQKHCFCAXXKTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BFNO2/c11-5-6-2-1-3-8-7(6)4-9(12-8)10(13)14/h1-4,12-14H,5H2.
What are the key properties of [4-(fluoromethyl)-1H-indol-2-yl]boronic acid?
[4-(fluoromethyl)-1H-indol-2-yl]boronic acid has a molecular weight of 192.99 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)-1H-indol-2-yl]boronic acid is sourced from PubChem (CID 90840731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).