2-bromohexanoyl bromide

C6H10Br2O — CID 3016923

IUPAC2-bromohexanoyl bromide
SMILESCCCCC(Br)C(=O)Br
InChIInChI=1S/C6H10Br2O/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3
InChIKeyCSFUYRGXBNPTSR-UHFFFAOYSA-N
MW257.95 g/mol
LogP2.86
Rot. Bonds4

About 2-bromohexanoyl bromide

2-bromohexanoyl bromide (PubChem CID 3016923) has the molecular formula C6H10Br2O and a molecular weight of 257.95 g/mol. Its IUPAC name is 2-bromohexanoyl bromide.

Molecular Properties

Compound Name2-bromohexanoyl bromide
PubChem CID3016923
Molecular FormulaC6H10Br2O
Molecular Weight257.95 g/mol
Exact Mass255.91
IUPAC Name2-bromohexanoyl bromide
SMILESCCCCC(Br)C(=O)Br
InChIInChI=1S/C6H10Br2O/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3
InChIKeyCSFUYRGXBNPTSR-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.95
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromohexanoyl bromide?
The IUPAC name of 2-bromohexanoyl bromide (CID 3016923) is 2-bromohexanoyl bromide.
What is the SMILES notation for 2-bromohexanoyl bromide?
The canonical SMILES for 2-bromohexanoyl bromide is CCCCC(Br)C(=O)Br.
What is the InChIKey of 2-bromohexanoyl bromide?
The InChIKey is CSFUYRGXBNPTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2O/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3.
What are the key properties of 2-bromohexanoyl bromide?
2-bromohexanoyl bromide has a molecular weight of 257.95 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromohexanoyl bromide is sourced from PubChem (CID 3016923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).