bromoform;1,2-dibromoethane

C3H5Br5 — CID 159126187

IUPACbromoform;1,2-dibromoethane
SMILESBrC(Br)Br.BrCCBr
InChIInChI=1S/C2H4Br2.CHBr3/c3-1-2-4;2-1(3)4/h1-2H2;1H
InChIKeyKGHPBLYSHNDYNJ-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.23
Rot. Bonds1

About bromoform;1,2-dibromoethane

bromoform;1,2-dibromoethane (PubChem CID 159126187) has the molecular formula C3H5Br5 and a molecular weight of 440.59 g/mol. Its IUPAC name is bromoform;1,2-dibromoethane.

Molecular Properties

Compound Namebromoform;1,2-dibromoethane
PubChem CID159126187
Molecular FormulaC3H5Br5
Molecular Weight440.59 g/mol
Exact Mass435.63
IUPAC Namebromoform;1,2-dibromoethane
SMILESBrC(Br)Br.BrCCBr
InChIInChI=1S/C2H4Br2.CHBr3/c3-1-2-4;2-1(3)4/h1-2H2;1H
InChIKeyKGHPBLYSHNDYNJ-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.23
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 bromoform;1,2-dibromoethane?
The IUPAC name of bromoform;1,2-dibromoethane (CID 159126187) is bromoform;1,2-dibromoethane.
What is the SMILES notation for bromoform;1,2-dibromoethane?
The canonical SMILES for bromoform;1,2-dibromoethane is BrC(Br)Br.BrCCBr.
What is the InChIKey of bromoform;1,2-dibromoethane?
The InChIKey is KGHPBLYSHNDYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Br2.CHBr3/c3-1-2-4;2-1(3)4/h1-2H2;1H.
What are the key properties of bromoform;1,2-dibromoethane?
bromoform;1,2-dibromoethane has a molecular weight of 440.59 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromoform;1,2-dibromoethane is sourced from PubChem (CID 159126187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).