1-bromo-3-iodo-2-methylpropane

C4H8BrI — CID 138692609

IUPAC1-bromo-3-iodo-2-methylpropane
SMILESCC(CBr)CI
InChIInChI=1S/C4H8BrI/c1-4(2-5)3-6/h4H,2-3H2,1H3
InChIKeyIZSFJAOOKDDXPD-UHFFFAOYSA-N
MW262.92 g/mol
LogP2.45
Rot. Bonds2

About 1-bromo-3-iodo-2-methylpropane

1-bromo-3-iodo-2-methylpropane (PubChem CID 138692609) has the molecular formula C4H8BrI and a molecular weight of 262.92 g/mol. Its IUPAC name is 1-bromo-3-iodo-2-methylpropane.

Molecular Properties

Compound Name1-bromo-3-iodo-2-methylpropane
PubChem CID138692609
Molecular FormulaC4H8BrI
Molecular Weight262.92 g/mol
Exact Mass261.89
IUPAC Name1-bromo-3-iodo-2-methylpropane
SMILESCC(CBr)CI
InChIInChI=1S/C4H8BrI/c1-4(2-5)3-6/h4H,2-3H2,1H3
InChIKeyIZSFJAOOKDDXPD-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
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

1-bromo-3-fluoro-2-methylpropane
CID 72682751
2-bromo-1-iodopropane
CID 12596098
(2R)-1-bromo-3-chloro-2-methylpropane
CID 642183
1,8-dibromo-2,7-dimethyloctane
CID 170903621
(2R)-1,5-dibromo-2-methylpentane
CID 10243526
1-iodo-2-methylpropane;hydrofluoride
CID 174557152
1,4-diiodo-2,3-dimethylbutane
CID 21200721
1-bromo-2-methyl-3-propan-2-ylsulfanylpropane
CID 64996086
6-bromo-2,5-dimethylhexan-1-ol
CID 21319862
(3S)-4-bromo-3-methylbutanenitrile
CID 14216279
(4S)-5-iodo-4-methylpent-1-ene
CID 101059144
4-bromo-3-methyl-1,1-bis(methylsulfanyl)butane
CID 19979160

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-iodo-2-methylpropane?
The IUPAC name of 1-bromo-3-iodo-2-methylpropane (CID 138692609) is 1-bromo-3-iodo-2-methylpropane.
What is the SMILES notation for 1-bromo-3-iodo-2-methylpropane?
The canonical SMILES for 1-bromo-3-iodo-2-methylpropane is CC(CBr)CI.
What is the InChIKey of 1-bromo-3-iodo-2-methylpropane?
The InChIKey is IZSFJAOOKDDXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrI/c1-4(2-5)3-6/h4H,2-3H2,1H3.
What are the key properties of 1-bromo-3-iodo-2-methylpropane?
1-bromo-3-iodo-2-methylpropane has a molecular weight of 262.92 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-iodo-2-methylpropane is sourced from PubChem (CID 138692609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).