[3-(bromomethyl)cyclohexyl]-hydroxyiminoborane

C7H13BBrNO — CID 176736869

IUPAC[3-(bromomethyl)cyclohexyl]-hydroxyiminoborane
SMILESO/N=B/C1CCCC(CBr)C1
InChIInChI=1S/C7H13BBrNO/c9-5-6-2-1-3-7(4-6)8-10-11/h6-7,11H,1-5H2
InChIKeyGUGPBVJSNJPZRD-UHFFFAOYSA-N
MW217.90 g/mol
LogP2.64
Rot. Bonds2

About [3-(bromomethyl)cyclohexyl]-hydroxyiminoborane

[3-(bromomethyl)cyclohexyl]-hydroxyiminoborane (PubChem CID 176736869) has the molecular formula C7H13BBrNO and a molecular weight of 217.90 g/mol. Its IUPAC name is [3-(bromomethyl)cyclohexyl]-hydroxyiminoborane.

Molecular Properties

Compound Name[3-(bromomethyl)cyclohexyl]-hydroxyiminoborane
PubChem CID176736869
Molecular FormulaC7H13BBrNO
Molecular Weight217.90 g/mol
Exact Mass217.03
IUPAC Name[3-(bromomethyl)cyclohexyl]-hydroxyiminoborane
SMILESO/N=B/C1CCCC(CBr)C1
InChIInChI=1S/C7H13BBrNO/c9-5-6-2-1-3-7(4-6)8-10-11/h6-7,11H,1-5H2
InChIKeyGUGPBVJSNJPZRD-UHFFFAOYSA-N
XLogP2.64
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.90
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)cyclohexyl]-hydroxyiminoborane?
The IUPAC name of [3-(bromomethyl)cyclohexyl]-hydroxyiminoborane (CID 176736869) is [3-(bromomethyl)cyclohexyl]-hydroxyiminoborane.
What is the SMILES notation for [3-(bromomethyl)cyclohexyl]-hydroxyiminoborane?
The canonical SMILES for [3-(bromomethyl)cyclohexyl]-hydroxyiminoborane is O/N=B/C1CCCC(CBr)C1.
What is the InChIKey of [3-(bromomethyl)cyclohexyl]-hydroxyiminoborane?
The InChIKey is GUGPBVJSNJPZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BBrNO/c9-5-6-2-1-3-7(4-6)8-10-11/h6-7,11H,1-5H2.
What are the key properties of [3-(bromomethyl)cyclohexyl]-hydroxyiminoborane?
[3-(bromomethyl)cyclohexyl]-hydroxyiminoborane has a molecular weight of 217.90 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)cyclohexyl]-hydroxyiminoborane is sourced from PubChem (CID 176736869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).