1-bromo-8,8-dichlorobicyclo[5.1.0]octane

C8H11BrCl2 — CID 11777253

IUPAC1-bromo-8,8-dichlorobicyclo[5.1.0]octane
SMILESClC1(Cl)C2CCCCCC21Br
InChIInChI=1S/C8H11BrCl2/c9-7-5-3-1-2-4-6(7)8(7,10)11/h6H,1-5H2
InChIKeyDMOZCVHKZHBOBN-UHFFFAOYSA-N
MW257.99 g/mol
LogP3.89
Rot. Bonds

About 1-bromo-8,8-dichlorobicyclo[5.1.0]octane

1-bromo-8,8-dichlorobicyclo[5.1.0]octane (PubChem CID 11777253) has the molecular formula C8H11BrCl2 and a molecular weight of 257.99 g/mol. Its IUPAC name is 1-bromo-8,8-dichlorobicyclo[5.1.0]octane.

Molecular Properties

Compound Name1-bromo-8,8-dichlorobicyclo[5.1.0]octane
PubChem CID11777253
Molecular FormulaC8H11BrCl2
Molecular Weight257.99 g/mol
Exact Mass255.94
IUPAC Name1-bromo-8,8-dichlorobicyclo[5.1.0]octane
SMILESClC1(Cl)C2CCCCCC21Br
InChIInChI=1S/C8H11BrCl2/c9-7-5-3-1-2-4-6(7)8(7,10)11/h6H,1-5H2
InChIKeyDMOZCVHKZHBOBN-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.99
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,8,8-tribromobicyclo[5.1.0]octane
CID 22146558
1,2-dibromo-1-methylcyclooctane
CID 18443823
9-(1-bromocyclopropyl)bicyclo[6.1.0]nonane
CID 15438125
(1S,10S,11S)-10-chloro-4,7-dioxatetracyclo[8.6.0.01,11.03,8]hexadec-3(8)-ene
CID 10445055
1,1-dibromo-2-methylcycloheptane
CID 70854356
trans-(1R,2S)-1-bromo-2-chlorocyclohexan-1-amine
CID 173103835
2,2,3,3,4-pentabromocyclododecane-1,1-diol
CID 155920368
1-bromo-1-(1-bromocyclopentyl)cycloheptane
CID 10087590
1,1-dichlorocyclooctane
CID 13066177
11,11-dibromobicyclo[8.1.0]undecane
CID 12759798
10,10-dibromobicyclo[7.1.0]decane
CID 12759792
1-chloro-6-iodo-1-methylcycloundecane
CID 170100175

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8,8-dichlorobicyclo[5.1.0]octane?
The IUPAC name of 1-bromo-8,8-dichlorobicyclo[5.1.0]octane (CID 11777253) is 1-bromo-8,8-dichlorobicyclo[5.1.0]octane.
What is the SMILES notation for 1-bromo-8,8-dichlorobicyclo[5.1.0]octane?
The canonical SMILES for 1-bromo-8,8-dichlorobicyclo[5.1.0]octane is ClC1(Cl)C2CCCCCC21Br.
What is the InChIKey of 1-bromo-8,8-dichlorobicyclo[5.1.0]octane?
The InChIKey is DMOZCVHKZHBOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrCl2/c9-7-5-3-1-2-4-6(7)8(7,10)11/h6H,1-5H2.
What are the key properties of 1-bromo-8,8-dichlorobicyclo[5.1.0]octane?
1-bromo-8,8-dichlorobicyclo[5.1.0]octane has a molecular weight of 257.99 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8,8-dichlorobicyclo[5.1.0]octane is sourced from PubChem (CID 11777253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).