2-bromo-2-chlorodispiro[2.0.54.13]decane

C10H14BrCl — CID 102045039

IUPAC2-bromo-2-chlorodispiro[2.0.54.13]decane
SMILESClC1(Br)CC12CC21CCCCC1
InChIInChI=1S/C10H14BrCl/c11-10(12)7-9(10)6-8(9)4-2-1-3-5-8/h1-7H2
InChIKeyUESYBMHAILILRU-UHFFFAOYSA-N
MW249.58 g/mol
LogP4.06
Rot. Bonds

About 2-bromo-2-chlorodispiro[2.0.54.13]decane

2-bromo-2-chlorodispiro[2.0.54.13]decane (PubChem CID 102045039) has the molecular formula C10H14BrCl and a molecular weight of 249.58 g/mol. Its IUPAC name is 2-bromo-2-chlorodispiro[2.0.54.13]decane.

Molecular Properties

Compound Name2-bromo-2-chlorodispiro[2.0.54.13]decane
PubChem CID102045039
Molecular FormulaC10H14BrCl
Molecular Weight249.58 g/mol
Exact Mass248.00
IUPAC Name2-bromo-2-chlorodispiro[2.0.54.13]decane
SMILESClC1(Br)CC12CC21CCCCC1
InChIInChI=1S/C10H14BrCl/c11-10(12)7-9(10)6-8(9)4-2-1-3-5-8/h1-7H2
InChIKeyUESYBMHAILILRU-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.58
LogP ≤ 54.06
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

2,2-dibromospiro[2.5]octane
CID 13462187
2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane
CID 13412659
1,1-dichlorocyclooctane
CID 13066177
1-bromo-1-(1-bromocyclopentyl)cycloheptane
CID 10087590
1,1-dichlorocyclohexane;dihydrochloride
CID 175162377
1,1,2,2-tetramethyldispiro[2.0.54.43]tridecane
CID 140941144
1-chloro-1,5,5-trimethylcyclotridecane
CID 71162180
(8S)-14,14-dichloro-13,13-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 70401081
1-chloro-1-methylcyclotridecane
CID 71082065
1-bromo-8,8-dichlorobicyclo[5.1.0]octane
CID 11777253
gold;1,1,2,2,3,3-hexabromocyclododecane
CID 174628805
1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane
CID 71370874

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-chlorodispiro[2.0.54.13]decane?
The IUPAC name of 2-bromo-2-chlorodispiro[2.0.54.13]decane (CID 102045039) is 2-bromo-2-chlorodispiro[2.0.54.13]decane.
What is the SMILES notation for 2-bromo-2-chlorodispiro[2.0.54.13]decane?
The canonical SMILES for 2-bromo-2-chlorodispiro[2.0.54.13]decane is ClC1(Br)CC12CC21CCCCC1.
What is the InChIKey of 2-bromo-2-chlorodispiro[2.0.54.13]decane?
The InChIKey is UESYBMHAILILRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrCl/c11-10(12)7-9(10)6-8(9)4-2-1-3-5-8/h1-7H2.
What are the key properties of 2-bromo-2-chlorodispiro[2.0.54.13]decane?
2-bromo-2-chlorodispiro[2.0.54.13]decane has a molecular weight of 249.58 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-chlorodispiro[2.0.54.13]decane is sourced from PubChem (CID 102045039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).