1,3-dibromo-1-(1-bromocyclopentyl)propan-2-one

C8H11Br3O — CID 134891152

IUPAC1,3-dibromo-1-(1-bromocyclopentyl)propan-2-one
SMILESO=C(CBr)C(Br)C1(Br)CCCC1
InChIInChI=1S/C8H11Br3O/c9-5-6(12)7(10)8(11)3-1-2-4-8/h7H,1-5H2
InChIKeyAOINIALUNAYJAK-UHFFFAOYSA-N
MW362.89 g/mol
LogP3.42
Rot. Bonds3

About 1,3-dibromo-1-(1-bromocyclopentyl)propan-2-one

1,3-dibromo-1-(1-bromocyclopentyl)propan-2-one (PubChem CID 134891152) has the molecular formula C8H11Br3O and a molecular weight of 362.89 g/mol. Its IUPAC name is 1,3-dibromo-1-(1-bromocyclopentyl)propan-2-one.

Molecular Properties

Compound Name1,3-dibromo-1-(1-bromocyclopentyl)propan-2-one
PubChem CID134891152
Molecular FormulaC8H11Br3O
Molecular Weight362.89 g/mol
Exact Mass359.84
IUPAC Name1,3-dibromo-1-(1-bromocyclopentyl)propan-2-one
SMILESO=C(CBr)C(Br)C1(Br)CCCC1
InChIInChI=1S/C8H11Br3O/c9-5-6(12)7(10)8(11)3-1-2-4-8/h7H,1-5H2
InChIKeyAOINIALUNAYJAK-UHFFFAOYSA-N
XLogP3.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.89
LogP ≤ 53.42
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 1,3-dibromo-1-(1-bromocyclopentyl)propan-2-one?
The IUPAC name of 1,3-dibromo-1-(1-bromocyclopentyl)propan-2-one (CID 134891152) is 1,3-dibromo-1-(1-bromocyclopentyl)propan-2-one.
What is the SMILES notation for 1,3-dibromo-1-(1-bromocyclopentyl)propan-2-one?
The canonical SMILES for 1,3-dibromo-1-(1-bromocyclopentyl)propan-2-one is O=C(CBr)C(Br)C1(Br)CCCC1.
What is the InChIKey of 1,3-dibromo-1-(1-bromocyclopentyl)propan-2-one?
The InChIKey is AOINIALUNAYJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br3O/c9-5-6(12)7(10)8(11)3-1-2-4-8/h7H,1-5H2.
What are the key properties of 1,3-dibromo-1-(1-bromocyclopentyl)propan-2-one?
1,3-dibromo-1-(1-bromocyclopentyl)propan-2-one has a molecular weight of 362.89 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-1-(1-bromocyclopentyl)propan-2-one is sourced from PubChem (CID 134891152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).