2-bromo-1-(1-bromocyclopentyl)propan-1-one

C8H12Br2O — CID 134877413

IUPAC2-bromo-1-(1-bromocyclopentyl)propan-1-one
SMILESCC(Br)C(=O)C1(Br)CCCC1
InChIInChI=1S/C8H12Br2O/c1-6(9)7(11)8(10)4-2-3-5-8/h6H,2-5H2,1H3
InChIKeyKXFTZEGGWZFMBR-UHFFFAOYSA-N
MW283.99 g/mol
LogP3.05
Rot. Bonds2

About 2-bromo-1-(1-bromocyclopentyl)propan-1-one

2-bromo-1-(1-bromocyclopentyl)propan-1-one (PubChem CID 134877413) has the molecular formula C8H12Br2O and a molecular weight of 283.99 g/mol. Its IUPAC name is 2-bromo-1-(1-bromocyclopentyl)propan-1-one.

Molecular Properties

Compound Name2-bromo-1-(1-bromocyclopentyl)propan-1-one
PubChem CID134877413
Molecular FormulaC8H12Br2O
Molecular Weight283.99 g/mol
Exact Mass281.93
IUPAC Name2-bromo-1-(1-bromocyclopentyl)propan-1-one
SMILESCC(Br)C(=O)C1(Br)CCCC1
InChIInChI=1S/C8H12Br2O/c1-6(9)7(11)8(10)4-2-3-5-8/h6H,2-5H2,1H3
InChIKeyKXFTZEGGWZFMBR-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.99
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-bromo-1-(1-bromocyclopentyl)propan-1-one?
The IUPAC name of 2-bromo-1-(1-bromocyclopentyl)propan-1-one (CID 134877413) is 2-bromo-1-(1-bromocyclopentyl)propan-1-one.
What is the SMILES notation for 2-bromo-1-(1-bromocyclopentyl)propan-1-one?
The canonical SMILES for 2-bromo-1-(1-bromocyclopentyl)propan-1-one is CC(Br)C(=O)C1(Br)CCCC1.
What is the InChIKey of 2-bromo-1-(1-bromocyclopentyl)propan-1-one?
The InChIKey is KXFTZEGGWZFMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2O/c1-6(9)7(11)8(10)4-2-3-5-8/h6H,2-5H2,1H3.
What are the key properties of 2-bromo-1-(1-bromocyclopentyl)propan-1-one?
2-bromo-1-(1-bromocyclopentyl)propan-1-one has a molecular weight of 283.99 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(1-bromocyclopentyl)propan-1-one is sourced from PubChem (CID 134877413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).