1,3-dibromobutane;1,3-dibromopropane

C7H14Br4 — CID 160634915

IUPAC1,3-dibromobutane;1,3-dibromopropane
SMILESBrCCCBr.CC(Br)CCBr
InChIInChI=1S/C4H8Br2.C3H6Br2/c1-4(6)2-3-5;4-2-1-3-5/h4H,2-3H2,1H3;1-3H2
InChIKeyRIKJABIVRGOFMA-UHFFFAOYSA-N
MW417.81 g/mol
LogP4.72
Rot. Bonds4

About 1,3-dibromobutane;1,3-dibromopropane

1,3-dibromobutane;1,3-dibromopropane (PubChem CID 160634915) has the molecular formula C7H14Br4 and a molecular weight of 417.81 g/mol. Its IUPAC name is 1,3-dibromobutane;1,3-dibromopropane.

Molecular Properties

Compound Name1,3-dibromobutane;1,3-dibromopropane
PubChem CID160634915
Molecular FormulaC7H14Br4
Molecular Weight417.81 g/mol
Exact Mass413.78
IUPAC Name1,3-dibromobutane;1,3-dibromopropane
SMILESBrCCCBr.CC(Br)CCBr
InChIInChI=1S/C4H8Br2.C3H6Br2/c1-4(6)2-3-5;4-2-1-3-5/h4H,2-3H2,1H3;1-3H2
InChIKeyRIKJABIVRGOFMA-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.81
LogP ≤ 54.72
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 1,3-dibromobutane;1,3-dibromopropane?
The IUPAC name of 1,3-dibromobutane;1,3-dibromopropane (CID 160634915) is 1,3-dibromobutane;1,3-dibromopropane.
What is the SMILES notation for 1,3-dibromobutane;1,3-dibromopropane?
The canonical SMILES for 1,3-dibromobutane;1,3-dibromopropane is BrCCCBr.CC(Br)CCBr.
What is the InChIKey of 1,3-dibromobutane;1,3-dibromopropane?
The InChIKey is RIKJABIVRGOFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Br2.C3H6Br2/c1-4(6)2-3-5;4-2-1-3-5/h4H,2-3H2,1H3;1-3H2.
What are the key properties of 1,3-dibromobutane;1,3-dibromopropane?
1,3-dibromobutane;1,3-dibromopropane has a molecular weight of 417.81 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromobutane;1,3-dibromopropane is sourced from PubChem (CID 160634915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).