(1S,5R)-6-bromo-7-(dibromomethyl)bicyclo[3.1.1]heptane

C8H11Br3 — CID 948982

IUPAC(1S,5R)-6-bromo-7-(dibromomethyl)bicyclo[3.1.1]heptane
SMILESBrC(Br)C1[C@@H]2CCC[C@H]1C2Br
InChIInChI=1S/C8H11Br3/c9-7-4-2-1-3-5(7)6(4)8(10)11/h4-8H,1-3H2/t4-,5+,6?,7?
InChIKeyDSNGPYDYZPFEEQ-DPTVFECHSA-N
MW346.89 g/mol
LogP3.91
Rot. Bonds1

About (1S,5R)-6-bromo-7-(dibromomethyl)bicyclo[3.1.1]heptane

(1S,5R)-6-bromo-7-(dibromomethyl)bicyclo[3.1.1]heptane (PubChem CID 948982) has the molecular formula C8H11Br3 and a molecular weight of 346.89 g/mol. Its IUPAC name is (1S,5R)-6-bromo-7-(dibromomethyl)bicyclo[3.1.1]heptane.

Molecular Properties

Compound Name(1S,5R)-6-bromo-7-(dibromomethyl)bicyclo[3.1.1]heptane
PubChem CID948982
Molecular FormulaC8H11Br3
Molecular Weight346.89 g/mol
Exact Mass343.84
IUPAC Name(1S,5R)-6-bromo-7-(dibromomethyl)bicyclo[3.1.1]heptane
SMILESBrC(Br)C1[C@@H]2CCC[C@H]1C2Br
InChIInChI=1S/C8H11Br3/c9-7-4-2-1-3-5(7)6(4)8(10)11/h4-8H,1-3H2/t4-,5+,6?,7?
InChIKeyDSNGPYDYZPFEEQ-DPTVFECHSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.89
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-bromo-7-(dibromomethyl)bicyclo[3.1.1]heptane?
The IUPAC name of (1S,5R)-6-bromo-7-(dibromomethyl)bicyclo[3.1.1]heptane (CID 948982) is (1S,5R)-6-bromo-7-(dibromomethyl)bicyclo[3.1.1]heptane.
What is the SMILES notation for (1S,5R)-6-bromo-7-(dibromomethyl)bicyclo[3.1.1]heptane?
The canonical SMILES for (1S,5R)-6-bromo-7-(dibromomethyl)bicyclo[3.1.1]heptane is BrC(Br)C1[C@@H]2CCC[C@H]1C2Br.
What is the InChIKey of (1S,5R)-6-bromo-7-(dibromomethyl)bicyclo[3.1.1]heptane?
The InChIKey is DSNGPYDYZPFEEQ-DPTVFECHSA-N. The full InChI is InChI=1S/C8H11Br3/c9-7-4-2-1-3-5(7)6(4)8(10)11/h4-8H,1-3H2/t4-,5+,6?,7?.
What are the key properties of (1S,5R)-6-bromo-7-(dibromomethyl)bicyclo[3.1.1]heptane?
(1S,5R)-6-bromo-7-(dibromomethyl)bicyclo[3.1.1]heptane has a molecular weight of 346.89 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-bromo-7-(dibromomethyl)bicyclo[3.1.1]heptane is sourced from PubChem (CID 948982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).