1-bromo-1-iodobutane

C4H8BrI — CID 22138270

IUPAC1-bromo-1-iodobutane
SMILESCCCC(Br)I
InChIInChI=1S/C4H8BrI/c1-2-3-4(5)6/h4H,2-3H2,1H3
InChIKeySCFHQTNCYVPQIS-UHFFFAOYSA-N
MW262.92 g/mol
LogP2.94
Rot. Bonds2

About 1-bromo-1-iodobutane

1-bromo-1-iodobutane (PubChem CID 22138270) has the molecular formula C4H8BrI and a molecular weight of 262.92 g/mol. Its IUPAC name is 1-bromo-1-iodobutane.

Molecular Properties

Compound Name1-bromo-1-iodobutane
PubChem CID22138270
Molecular FormulaC4H8BrI
Molecular Weight262.92 g/mol
Exact Mass261.89
IUPAC Name1-bromo-1-iodobutane
SMILESCCCC(Br)I
InChIInChI=1S/C4H8BrI/c1-2-3-4(5)6/h4H,2-3H2,1H3
InChIKeySCFHQTNCYVPQIS-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.92
LogP ≤ 52.94
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

2-bromo-3-iodohexane
CID 54541295
1-iodobutane-1-thiol
CID 22402717
1-bromobutylsilane
CID 174507428
3-bromohexane
CID 18806
4-bromo-5-propyloctane
CID 83050425
bromo(tripropyl)phosphanium
CID 177091751
2-bromopentanethioamide
CID 82670253
(2S)-2-bromopentan-1-ol
CID 101373163
(4S)-4-iodooctane
CID 97300695
azane;heptan-4-amine
CID 118430725
2-bromo-4-(1-iodoethyl)-7-methyldecane
CID 90206393
4-bromo-2,3-dimethylheptane
CID 83051461

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-iodobutane?
The IUPAC name of 1-bromo-1-iodobutane (CID 22138270) is 1-bromo-1-iodobutane.
What is the SMILES notation for 1-bromo-1-iodobutane?
The canonical SMILES for 1-bromo-1-iodobutane is CCCC(Br)I.
What is the InChIKey of 1-bromo-1-iodobutane?
The InChIKey is SCFHQTNCYVPQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrI/c1-2-3-4(5)6/h4H,2-3H2,1H3.
What are the key properties of 1-bromo-1-iodobutane?
1-bromo-1-iodobutane has a molecular weight of 262.92 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-iodobutane is sourced from PubChem (CID 22138270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).