1-bromo-5-iodoheptane

C7H14BrI — CID 57092815

IUPAC1-bromo-5-iodoheptane
SMILESCCC(I)CCCCBr
InChIInChI=1S/C7H14BrI/c1-2-7(9)5-3-4-6-8/h7H,2-6H2,1H3
InChIKeyLFXLXOIQHLZCIO-UHFFFAOYSA-N
MW305.00 g/mol
LogP3.77
Rot. Bonds5

About 1-bromo-5-iodoheptane

1-bromo-5-iodoheptane (PubChem CID 57092815) has the molecular formula C7H14BrI and a molecular weight of 305.00 g/mol. Its IUPAC name is 1-bromo-5-iodoheptane.

Molecular Properties

Compound Name1-bromo-5-iodoheptane
PubChem CID57092815
Molecular FormulaC7H14BrI
Molecular Weight305.00 g/mol
Exact Mass303.93
IUPAC Name1-bromo-5-iodoheptane
SMILESCCC(I)CCCCBr
InChIInChI=1S/C7H14BrI/c1-2-7(9)5-3-4-6-8/h7H,2-6H2,1H3
InChIKeyLFXLXOIQHLZCIO-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.00
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-iodoheptane?
The IUPAC name of 1-bromo-5-iodoheptane (CID 57092815) is 1-bromo-5-iodoheptane.
What is the SMILES notation for 1-bromo-5-iodoheptane?
The canonical SMILES for 1-bromo-5-iodoheptane is CCC(I)CCCCBr.
What is the InChIKey of 1-bromo-5-iodoheptane?
The InChIKey is LFXLXOIQHLZCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrI/c1-2-7(9)5-3-4-6-8/h7H,2-6H2,1H3.
What are the key properties of 1-bromo-5-iodoheptane?
1-bromo-5-iodoheptane has a molecular weight of 305.00 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-iodoheptane is sourced from PubChem (CID 57092815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).