(1Z)-2-bromo-1-iodobuta-1,3-diene

C4H4BrI — CID 23262778

IUPAC(1Z)-2-bromo-1-iodobuta-1,3-diene
SMILESC=C/C(Br)=C/I
InChIInChI=1S/C4H4BrI/c1-2-4(5)3-6/h2-3H,1H2/b4-3-
InChIKeyZBUGRCWIVFKGJJ-ARJAWSKDSA-N
MW258.88 g/mol
LogP2.84
Rot. Bonds1

About (1Z)-2-bromo-1-iodobuta-1,3-diene

(1Z)-2-bromo-1-iodobuta-1,3-diene (PubChem CID 23262778) has the molecular formula C4H4BrI and a molecular weight of 258.88 g/mol. Its IUPAC name is (1Z)-2-bromo-1-iodobuta-1,3-diene.

Molecular Properties

Compound Name(1Z)-2-bromo-1-iodobuta-1,3-diene
PubChem CID23262778
Molecular FormulaC4H4BrI
Molecular Weight258.88 g/mol
Exact Mass257.85
IUPAC Name(1Z)-2-bromo-1-iodobuta-1,3-diene
SMILESC=C/C(Br)=C/I
InChIInChI=1S/C4H4BrI/c1-2-4(5)3-6/h2-3H,1H2/b4-3-
InChIKeyZBUGRCWIVFKGJJ-ARJAWSKDSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.88
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1E)-2-bromo-N,N-dimethylbuta-1,3-dien-1-amine
CID 153037895
(1Z)-2-chloro-1-iodobuta-1,3-diene
CID 88597183
(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
CID 143591783
1-[(1E)-2-bromobuta-1,3-dienyl]-1,2,2-trimethylhydrazine
CID 129156946
[(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane
CID 164665145
(3E,5Z)-3-bromo-5-methylocta-1,3,5,7-tetraene;ethane
CID 144847010
2-bromo-4-methylhexa-1,3,5-triene
CID 91031136
CID 174896801
CID 174896801
iodoethene;zinc
CID 87671538
potassium (3E)-5-bromohexa-1,3,5-trien-3-olate
CID 144769155
(3E,5E)-6-bromo-3-methoxy-4-methylocta-1,3,5,7-tetraene
CID 142904672
3-bromo-7-fluoro-5-methylhepta-1,3,5-triene
CID 123150055

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-bromo-1-iodobuta-1,3-diene?
The IUPAC name of (1Z)-2-bromo-1-iodobuta-1,3-diene (CID 23262778) is (1Z)-2-bromo-1-iodobuta-1,3-diene.
What is the SMILES notation for (1Z)-2-bromo-1-iodobuta-1,3-diene?
The canonical SMILES for (1Z)-2-bromo-1-iodobuta-1,3-diene is C=C/C(Br)=C/I.
What is the InChIKey of (1Z)-2-bromo-1-iodobuta-1,3-diene?
The InChIKey is ZBUGRCWIVFKGJJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H4BrI/c1-2-4(5)3-6/h2-3H,1H2/b4-3-.
What are the key properties of (1Z)-2-bromo-1-iodobuta-1,3-diene?
(1Z)-2-bromo-1-iodobuta-1,3-diene has a molecular weight of 258.88 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-bromo-1-iodobuta-1,3-diene is sourced from PubChem (CID 23262778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).