2,3,4-tribromobut-2-en-1-ol

C4H5Br3O — CID 54535645

IUPAC2,3,4-tribromobut-2-en-1-ol
SMILESOCC(Br)=C(Br)CBr
InChIInChI=1S/C4H5Br3O/c5-1-3(6)4(7)2-8/h8H,1-2H2
InChIKeyYZOSORGGVXSBNG-UHFFFAOYSA-N
MW308.80 g/mol
LogP2.38
Rot. Bonds2

About 2,3,4-tribromobut-2-en-1-ol

2,3,4-tribromobut-2-en-1-ol (PubChem CID 54535645) has the molecular formula C4H5Br3O and a molecular weight of 308.80 g/mol. Its IUPAC name is 2,3,4-tribromobut-2-en-1-ol.

Molecular Properties

Compound Name2,3,4-tribromobut-2-en-1-ol
PubChem CID54535645
Molecular FormulaC4H5Br3O
Molecular Weight308.80 g/mol
Exact Mass305.79
IUPAC Name2,3,4-tribromobut-2-en-1-ol
SMILESOCC(Br)=C(Br)CBr
InChIInChI=1S/C4H5Br3O/c5-1-3(6)4(7)2-8/h8H,1-2H2
InChIKeyYZOSORGGVXSBNG-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.80
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,3,4-tribromobut-2-en-1-ol?
The IUPAC name of 2,3,4-tribromobut-2-en-1-ol (CID 54535645) is 2,3,4-tribromobut-2-en-1-ol.
What is the SMILES notation for 2,3,4-tribromobut-2-en-1-ol?
The canonical SMILES for 2,3,4-tribromobut-2-en-1-ol is OCC(Br)=C(Br)CBr.
What is the InChIKey of 2,3,4-tribromobut-2-en-1-ol?
The InChIKey is YZOSORGGVXSBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Br3O/c5-1-3(6)4(7)2-8/h8H,1-2H2.
What are the key properties of 2,3,4-tribromobut-2-en-1-ol?
2,3,4-tribromobut-2-en-1-ol has a molecular weight of 308.80 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tribromobut-2-en-1-ol is sourced from PubChem (CID 54535645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).