4-bromo-1,1,3,3-tetrachlorobutane

C4H5BrCl4 — CID 119095614

IUPAC4-bromo-1,1,3,3-tetrachlorobutane
SMILESClC(Cl)CC(Cl)(Cl)CBr
InChIInChI=1S/C4H5BrCl4/c5-2-4(8,9)1-3(6)7/h3H,1-2H2
InChIKeyBVAGLSRPLOWBGR-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.75
Rot. Bonds3

About 4-bromo-1,1,3,3-tetrachlorobutane

4-bromo-1,1,3,3-tetrachlorobutane (PubChem CID 119095614) has the molecular formula C4H5BrCl4 and a molecular weight of 274.80 g/mol. Its IUPAC name is 4-bromo-1,1,3,3-tetrachlorobutane.

Molecular Properties

Compound Name4-bromo-1,1,3,3-tetrachlorobutane
PubChem CID119095614
Molecular FormulaC4H5BrCl4
Molecular Weight274.80 g/mol
Exact Mass271.83
IUPAC Name4-bromo-1,1,3,3-tetrachlorobutane
SMILESClC(Cl)CC(Cl)(Cl)CBr
InChIInChI=1S/C4H5BrCl4/c5-2-4(8,9)1-3(6)7/h3H,1-2H2
InChIKeyBVAGLSRPLOWBGR-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.75
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 4-bromo-1,1,3,3-tetrachlorobutane?
The IUPAC name of 4-bromo-1,1,3,3-tetrachlorobutane (CID 119095614) is 4-bromo-1,1,3,3-tetrachlorobutane.
What is the SMILES notation for 4-bromo-1,1,3,3-tetrachlorobutane?
The canonical SMILES for 4-bromo-1,1,3,3-tetrachlorobutane is ClC(Cl)CC(Cl)(Cl)CBr.
What is the InChIKey of 4-bromo-1,1,3,3-tetrachlorobutane?
The InChIKey is BVAGLSRPLOWBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrCl4/c5-2-4(8,9)1-3(6)7/h3H,1-2H2.
What are the key properties of 4-bromo-1,1,3,3-tetrachlorobutane?
4-bromo-1,1,3,3-tetrachlorobutane has a molecular weight of 274.80 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,1,3,3-tetrachlorobutane is sourced from PubChem (CID 119095614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).