1,3-dibromopropylcyclopentane

C8H14Br2 — CID 119055057

IUPAC1,3-dibromopropylcyclopentane
SMILESBrCCC(Br)C1CCCC1
InChIInChI=1S/C8H14Br2/c9-6-5-8(10)7-3-1-2-4-7/h7-8H,1-6H2
InChIKeyLPFOKZWUDWROBZ-UHFFFAOYSA-N
MW270.01 g/mol
LogP3.73
Rot. Bonds3

About 1,3-dibromopropylcyclopentane

1,3-dibromopropylcyclopentane (PubChem CID 119055057) has the molecular formula C8H14Br2 and a molecular weight of 270.01 g/mol. Its IUPAC name is 1,3-dibromopropylcyclopentane.

Molecular Properties

Compound Name1,3-dibromopropylcyclopentane
PubChem CID119055057
Molecular FormulaC8H14Br2
Molecular Weight270.01 g/mol
Exact Mass267.95
IUPAC Name1,3-dibromopropylcyclopentane
SMILESBrCCC(Br)C1CCCC1
InChIInChI=1S/C8H14Br2/c9-6-5-8(10)7-3-1-2-4-7/h7-8H,1-6H2
InChIKeyLPFOKZWUDWROBZ-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.01
LogP ≤ 53.73
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-(1,3-dibromopropyl)-4-ethylcyclohexane
CID 143189169
1-(1,3-dibromopropyl)-4-(4-ethylcyclohexyl)cyclohexane;ethane
CID 143189115
1-bromopropylcyclopentane
CID 79303747
2,4-dibromobutylcyclohexane
CID 118255145
(1,3-dibromo-3,3-difluoropropyl)cyclohexane
CID 10519701
(1-bromo-4-propylsulfonylbutyl)cyclopentane
CID 106729203
(1-bromo-5-methylhexyl)cyclopropane
CID 63472651
(1S)-7-bromo-1-cyclohexylheptan-1-ol
CID 10588552
di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
dicyclopropylmethylcyclopentane
CID 56984657
1-bromotetradecylcyclopropane
CID 55193412
1-cyclohexyl-4,4,4-trifluorobutan-1-amine
CID 64565147

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromopropylcyclopentane?
The IUPAC name of 1,3-dibromopropylcyclopentane (CID 119055057) is 1,3-dibromopropylcyclopentane.
What is the SMILES notation for 1,3-dibromopropylcyclopentane?
The canonical SMILES for 1,3-dibromopropylcyclopentane is BrCCC(Br)C1CCCC1.
What is the InChIKey of 1,3-dibromopropylcyclopentane?
The InChIKey is LPFOKZWUDWROBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Br2/c9-6-5-8(10)7-3-1-2-4-7/h7-8H,1-6H2.
What are the key properties of 1,3-dibromopropylcyclopentane?
1,3-dibromopropylcyclopentane has a molecular weight of 270.01 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromopropylcyclopentane is sourced from PubChem (CID 119055057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).