3-bromo-1,1,1,3-tetrachloropropane

C3H3BrCl4 — CID 74038627

IUPAC3-bromo-1,1,1,3-tetrachloropropane
SMILESClC(Br)CC(Cl)(Cl)Cl
InChIInChI=1S/C3H3BrCl4/c4-2(5)1-3(6,7)8/h2H,1H2
InChIKeyQBPRPJAGTMQEMJ-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.71
Rot. Bonds1

About 3-bromo-1,1,1,3-tetrachloropropane

3-bromo-1,1,1,3-tetrachloropropane (PubChem CID 74038627) has the molecular formula C3H3BrCl4 and a molecular weight of 260.77 g/mol. Its IUPAC name is 3-bromo-1,1,1,3-tetrachloropropane.

Molecular Properties

Compound Name3-bromo-1,1,1,3-tetrachloropropane
PubChem CID74038627
Molecular FormulaC3H3BrCl4
Molecular Weight260.77 g/mol
Exact Mass257.82
IUPAC Name3-bromo-1,1,1,3-tetrachloropropane
SMILESClC(Br)CC(Cl)(Cl)Cl
InChIInChI=1S/C3H3BrCl4/c4-2(5)1-3(6,7)8/h2H,1H2
InChIKeyQBPRPJAGTMQEMJ-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.71
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 3-bromo-1,1,1,3-tetrachloropropane?
The IUPAC name of 3-bromo-1,1,1,3-tetrachloropropane (CID 74038627) is 3-bromo-1,1,1,3-tetrachloropropane.
What is the SMILES notation for 3-bromo-1,1,1,3-tetrachloropropane?
The canonical SMILES for 3-bromo-1,1,1,3-tetrachloropropane is ClC(Br)CC(Cl)(Cl)Cl.
What is the InChIKey of 3-bromo-1,1,1,3-tetrachloropropane?
The InChIKey is QBPRPJAGTMQEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrCl4/c4-2(5)1-3(6,7)8/h2H,1H2.
What are the key properties of 3-bromo-1,1,1,3-tetrachloropropane?
3-bromo-1,1,1,3-tetrachloropropane has a molecular weight of 260.77 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,1,1,3-tetrachloropropane is sourced from PubChem (CID 74038627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).