2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide

C10H18B2F3- — CID 134963998

IUPAC2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide
SMILESF[B-](F)(F)CCB1C2CCCC1CCC2
InChIInChI=1S/C10H18B2F3/c13-12(14,15)8-7-11-9-3-1-4-10(11)6-2-5-9/h9-10H,1-8H2/q-1
InChIKeyCWKZJTSPEKSCHR-UHFFFAOYSA-N
MW216.87 g/mol
LogP4.44
Rot. Bonds3

About 2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide

2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide (PubChem CID 134963998) has the molecular formula C10H18B2F3- and a molecular weight of 216.87 g/mol. Its IUPAC name is 2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide.

Molecular Properties

Compound Name2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide
PubChem CID134963998
Molecular FormulaC10H18B2F3-
Molecular Weight216.87 g/mol
Exact Mass217.16
IUPAC Name2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide
SMILESF[B-](F)(F)CCB1C2CCCC1CCC2
InChIInChI=1S/C10H18B2F3/c13-12(14,15)8-7-11-9-3-1-4-10(11)6-2-5-9/h9-10H,1-8H2/q-1
InChIKeyCWKZJTSPEKSCHR-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.87
LogP ≤ 54.44
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 2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide?
The IUPAC name of 2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide (CID 134963998) is 2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide.
What is the SMILES notation for 2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide?
The canonical SMILES for 2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide is F[B-](F)(F)CCB1C2CCCC1CCC2.
What is the InChIKey of 2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide?
The InChIKey is CWKZJTSPEKSCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18B2F3/c13-12(14,15)8-7-11-9-3-1-4-10(11)6-2-5-9/h9-10H,1-8H2/q-1.
What are the key properties of 2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide?
2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide has a molecular weight of 216.87 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-borabicyclo[3.3.1]nonan-9-yl)ethyl-trifluoroboranuide is sourced from PubChem (CID 134963998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).