1,1,5-tribromo-3,5-dichloropentane

C5H7Br3Cl2 — CID 15162503

IUPAC1,1,5-tribromo-3,5-dichloropentane
SMILESClC(Br)CC(Cl)CC(Br)Br
InChIInChI=1S/C5H7Br3Cl2/c6-4(7)1-3(9)2-5(8)10/h3-5H,1-2H2
InChIKeyZACPPWNNNORSFG-UHFFFAOYSA-N
MW377.73 g/mol
LogP4.45
Rot. Bonds4

About 1,1,5-tribromo-3,5-dichloropentane

1,1,5-tribromo-3,5-dichloropentane (PubChem CID 15162503) has the molecular formula C5H7Br3Cl2 and a molecular weight of 377.73 g/mol. Its IUPAC name is 1,1,5-tribromo-3,5-dichloropentane.

Molecular Properties

Compound Name1,1,5-tribromo-3,5-dichloropentane
PubChem CID15162503
Molecular FormulaC5H7Br3Cl2
Molecular Weight377.73 g/mol
Exact Mass373.75
IUPAC Name1,1,5-tribromo-3,5-dichloropentane
SMILESClC(Br)CC(Cl)CC(Br)Br
InChIInChI=1S/C5H7Br3Cl2/c6-4(7)1-3(9)2-5(8)10/h3-5H,1-2H2
InChIKeyZACPPWNNNORSFG-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.73
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1,5-tribromo-3,5-dichloropentane?
The IUPAC name of 1,1,5-tribromo-3,5-dichloropentane (CID 15162503) is 1,1,5-tribromo-3,5-dichloropentane.
What is the SMILES notation for 1,1,5-tribromo-3,5-dichloropentane?
The canonical SMILES for 1,1,5-tribromo-3,5-dichloropentane is ClC(Br)CC(Cl)CC(Br)Br.
What is the InChIKey of 1,1,5-tribromo-3,5-dichloropentane?
The InChIKey is ZACPPWNNNORSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Br3Cl2/c6-4(7)1-3(9)2-5(8)10/h3-5H,1-2H2.
What are the key properties of 1,1,5-tribromo-3,5-dichloropentane?
1,1,5-tribromo-3,5-dichloropentane has a molecular weight of 377.73 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5-tribromo-3,5-dichloropentane is sourced from PubChem (CID 15162503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).