(4-cyclobutylphenyl)-trifluoroboranuide

C10H11BF3- — CID 116505201

IUPAC(4-cyclobutylphenyl)-trifluoroboranuide
SMILESF[B-](F)(F)c1ccc(C2CCC2)cc1
InChIInChI=1S/C10H11BF3/c12-11(13,14)10-6-4-9(5-7-10)8-2-1-3-8/h4-8H,1-3H2/q-1
InChIKeyDYKKLMZWUPCZMA-UHFFFAOYSA-N
MW199.00 g/mol
LogP3.01
Rot. Bonds2

About (4-cyclobutylphenyl)-trifluoroboranuide

(4-cyclobutylphenyl)-trifluoroboranuide (PubChem CID 116505201) has the molecular formula C10H11BF3- and a molecular weight of 199.00 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-trifluoroboranuide.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-trifluoroboranuide
PubChem CID116505201
Molecular FormulaC10H11BF3-
Molecular Weight199.00 g/mol
Exact Mass199.09
IUPAC Name(4-cyclobutylphenyl)-trifluoroboranuide
SMILESF[B-](F)(F)c1ccc(C2CCC2)cc1
InChIInChI=1S/C10H11BF3/c12-11(13,14)10-6-4-9(5-7-10)8-2-1-3-8/h4-8H,1-3H2/q-1
InChIKeyDYKKLMZWUPCZMA-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.00
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-cyclobutylphenyl)-trifluoroboranuide?
The IUPAC name of (4-cyclobutylphenyl)-trifluoroboranuide (CID 116505201) is (4-cyclobutylphenyl)-trifluoroboranuide.
What is the SMILES notation for (4-cyclobutylphenyl)-trifluoroboranuide?
The canonical SMILES for (4-cyclobutylphenyl)-trifluoroboranuide is F[B-](F)(F)c1ccc(C2CCC2)cc1.
What is the InChIKey of (4-cyclobutylphenyl)-trifluoroboranuide?
The InChIKey is DYKKLMZWUPCZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BF3/c12-11(13,14)10-6-4-9(5-7-10)8-2-1-3-8/h4-8H,1-3H2/q-1.
What are the key properties of (4-cyclobutylphenyl)-trifluoroboranuide?
(4-cyclobutylphenyl)-trifluoroboranuide has a molecular weight of 199.00 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-trifluoroboranuide is sourced from PubChem (CID 116505201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).