(E)-1-bromo-2-iodobut-2-ene

C4H6BrI — CID 5466664

IUPAC(E)-1-bromo-2-iodobut-2-ene
SMILESC/C=C(/I)CBr
InChIInChI=1S/C4H6BrI/c1-2-4(6)3-5/h2H,3H2,1H3/b4-2+
InChIKeyBWGFXGKYRIWCCL-DUXPYHPUSA-N
MW260.90 g/mol
LogP2.72
Rot. Bonds1

About (E)-1-bromo-2-iodobut-2-ene

(E)-1-bromo-2-iodobut-2-ene (PubChem CID 5466664) has the molecular formula C4H6BrI and a molecular weight of 260.90 g/mol. Its IUPAC name is (E)-1-bromo-2-iodobut-2-ene.

Molecular Properties

Compound Name(E)-1-bromo-2-iodobut-2-ene
PubChem CID5466664
Molecular FormulaC4H6BrI
Molecular Weight260.90 g/mol
Exact Mass259.87
IUPAC Name(E)-1-bromo-2-iodobut-2-ene
SMILESC/C=C(/I)CBr
InChIInChI=1S/C4H6BrI/c1-2-4(6)3-5/h2H,3H2,1H3/b4-2+
InChIKeyBWGFXGKYRIWCCL-DUXPYHPUSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.90
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-iodohexa-1,4-diene
CID 88547743
3-bromoprop-1-ene;iodomethane
CID 174834999
(Z)-2-(bromomethyl)but-2-enal
CID 89046052
(3E)-3-(bromomethyl)penta-1,3-diene;ethene
CID 145426536
1,2-dibromodec-2-ene
CID 54083778
1-iodoprop-1-en-1-amine
CID 141312363
1-fluoro-1-iodoprop-1-ene
CID 175825519
(5E)-5-bromohepta-1,5-diene
CID 163878412
(Z)-3-bromooct-2-ene
CID 13181431
(Z)-3-iodo-2-methylpent-3-en-2-ol
CID 134854673
2-bromo-3,4-bis(bromomethyl)hexa-2,4-diene
CID 123251913
1-bromopropan-2-one;ethane
CID 171800976

Frequently Asked Questions

What is the IUPAC name of (E)-1-bromo-2-iodobut-2-ene?
The IUPAC name of (E)-1-bromo-2-iodobut-2-ene (CID 5466664) is (E)-1-bromo-2-iodobut-2-ene.
What is the SMILES notation for (E)-1-bromo-2-iodobut-2-ene?
The canonical SMILES for (E)-1-bromo-2-iodobut-2-ene is C/C=C(/I)CBr.
What is the InChIKey of (E)-1-bromo-2-iodobut-2-ene?
The InChIKey is BWGFXGKYRIWCCL-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H6BrI/c1-2-4(6)3-5/h2H,3H2,1H3/b4-2+.
What are the key properties of (E)-1-bromo-2-iodobut-2-ene?
(E)-1-bromo-2-iodobut-2-ene has a molecular weight of 260.90 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bromo-2-iodobut-2-ene is sourced from PubChem (CID 5466664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).