2-bromo-1-iodopropane

C3H6BrI — CID 12596098

IUPAC2-bromo-1-iodopropane
SMILESCC(Br)CI
InChIInChI=1S/C3H6BrI/c1-3(4)2-5/h3H,2H2,1H3
InChIKeyQEBGRPQAKNUHIS-UHFFFAOYSA-N
MW248.89 g/mol
LogP2.20
Rot. Bonds1

About 2-bromo-1-iodopropane

2-bromo-1-iodopropane (PubChem CID 12596098) has the molecular formula C3H6BrI and a molecular weight of 248.89 g/mol. Its IUPAC name is 2-bromo-1-iodopropane.

Molecular Properties

Compound Name2-bromo-1-iodopropane
PubChem CID12596098
Molecular FormulaC3H6BrI
Molecular Weight248.89 g/mol
Exact Mass247.87
IUPAC Name2-bromo-1-iodopropane
SMILESCC(Br)CI
InChIInChI=1S/C3H6BrI/c1-3(4)2-5/h3H,2H2,1H3
InChIKeyQEBGRPQAKNUHIS-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.89
LogP ≤ 52.20
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-iodo-2-methylpropane;hydrofluoride
CID 174557152
1,4-diiodo-2,3-dimethylbutane
CID 21200721
1-bromo-3-iodo-2-methylpropane
CID 138692609
2-bromo-1-chloropropane
CID 18175
(2R)-2-bromopropan-1-ol
CID 12579096
(2S)-1-iodopropan-2-amine
CID 89094739
CID 173440040
CID 173440040
2,13-dibromotetradecane
CID 150586187
2-bromo-5-methylhexane
CID 15716192
(2S,3S)-2,3-dibromobutane
CID 23270428
(2R,3S)-1-iodobutane-2,3-diol
CID 134856288
1,2-diiodo-4-methylpentane
CID 13082779

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-iodopropane?
The IUPAC name of 2-bromo-1-iodopropane (CID 12596098) is 2-bromo-1-iodopropane.
What is the SMILES notation for 2-bromo-1-iodopropane?
The canonical SMILES for 2-bromo-1-iodopropane is CC(Br)CI.
What is the InChIKey of 2-bromo-1-iodopropane?
The InChIKey is QEBGRPQAKNUHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BrI/c1-3(4)2-5/h3H,2H2,1H3.
What are the key properties of 2-bromo-1-iodopropane?
2-bromo-1-iodopropane has a molecular weight of 248.89 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-iodopropane is sourced from PubChem (CID 12596098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).