[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane

C7H9BCl2 — CID 100966944

IUPAC[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane
SMILESClB(Cl)C1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C7H9BCl2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2/t5-,6+,7?/m0/s1
InChIKeyZBMQZAFESYSTEN-GFCOJPQKSA-N
MW174.87 g/mol
LogP2.92
Rot. Bonds1

About [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane

[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane (PubChem CID 100966944) has the molecular formula C7H9BCl2 and a molecular weight of 174.87 g/mol. Its IUPAC name is [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane.

Molecular Properties

Compound Name[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane
PubChem CID100966944
Molecular FormulaC7H9BCl2
Molecular Weight174.87 g/mol
Exact Mass174.02
IUPAC Name[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane
SMILESClB(Cl)C1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C7H9BCl2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2/t5-,6+,7?/m0/s1
InChIKeyZBMQZAFESYSTEN-GFCOJPQKSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.87
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dimethylborane
CID 134979166
(1R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 67822008
(1R,4R)-5-(chloromethyl)bicyclo[2.2.1]hept-2-ene
CID 11815475
[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-trichlorosilane
CID 25113252
2-bicyclo[2.2.1]hept-5-enylphosphane
CID 89139519
2-bicyclo[2.2.1]hept-5-enylazanium
CID 134866757
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
(1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol
CID 12622748
5-prop-1-en-2-ylbicyclo[2.2.1]hept-2-ene
CID 158918513
CID 177443621
CID 177443621
1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 11869221
1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine
CID 58543795

Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane?
The IUPAC name of [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane (CID 100966944) is [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane.
What is the SMILES notation for [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane?
The canonical SMILES for [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane is ClB(Cl)C1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane?
The InChIKey is ZBMQZAFESYSTEN-GFCOJPQKSA-N. The full InChI is InChI=1S/C7H9BCl2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2/t5-,6+,7?/m0/s1.
What are the key properties of [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane?
[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane has a molecular weight of 174.87 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-dichloroborane is sourced from PubChem (CID 100966944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).