1,1-dibromopropane;1,1,1,2-tetrachloroethane

C5H8Br2Cl4 — CID 174859427

IUPAC1,1-dibromopropane;1,1,1,2-tetrachloroethane
SMILESCCC(Br)Br.ClCC(Cl)(Cl)Cl
InChIInChI=1S/C3H6Br2.C2H2Cl4/c1-2-3(4)5;3-1-2(4,5)6/h3H,2H2,1H3;1H2
InChIKeyAJKZSSBOCFMSRG-UHFFFAOYSA-N
MW369.74 g/mol
LogP5.11
Rot. Bonds1

About 1,1-dibromopropane;1,1,1,2-tetrachloroethane

1,1-dibromopropane;1,1,1,2-tetrachloroethane (PubChem CID 174859427) has the molecular formula C5H8Br2Cl4 and a molecular weight of 369.74 g/mol. Its IUPAC name is 1,1-dibromopropane;1,1,1,2-tetrachloroethane.

Molecular Properties

Compound Name1,1-dibromopropane;1,1,1,2-tetrachloroethane
PubChem CID174859427
Molecular FormulaC5H8Br2Cl4
Molecular Weight369.74 g/mol
Exact Mass365.77
IUPAC Name1,1-dibromopropane;1,1,1,2-tetrachloroethane
SMILESCCC(Br)Br.ClCC(Cl)(Cl)Cl
InChIInChI=1S/C3H6Br2.C2H2Cl4/c1-2-3(4)5;3-1-2(4,5)6/h3H,2H2,1H3;1H2
InChIKeyAJKZSSBOCFMSRG-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.74
LogP ≤ 55.11
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-dibromopropane;1,1,1,2-tetrachloroethane?
The IUPAC name of 1,1-dibromopropane;1,1,1,2-tetrachloroethane (CID 174859427) is 1,1-dibromopropane;1,1,1,2-tetrachloroethane.
What is the SMILES notation for 1,1-dibromopropane;1,1,1,2-tetrachloroethane?
The canonical SMILES for 1,1-dibromopropane;1,1,1,2-tetrachloroethane is CCC(Br)Br.ClCC(Cl)(Cl)Cl.
What is the InChIKey of 1,1-dibromopropane;1,1,1,2-tetrachloroethane?
The InChIKey is AJKZSSBOCFMSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Br2.C2H2Cl4/c1-2-3(4)5;3-1-2(4,5)6/h3H,2H2,1H3;1H2.
What are the key properties of 1,1-dibromopropane;1,1,1,2-tetrachloroethane?
1,1-dibromopropane;1,1,1,2-tetrachloroethane has a molecular weight of 369.74 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromopropane;1,1,1,2-tetrachloroethane is sourced from PubChem (CID 174859427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).