5-bromo-5-(dibromomethyl)-4-propylfuran-2-one

C8H9Br3O2 — CID 10134161

IUPAC5-bromo-5-(dibromomethyl)-4-propylfuran-2-one
SMILESCCCC1=CC(=O)OC1(Br)C(Br)Br
InChIInChI=1S/C8H9Br3O2/c1-2-3-5-4-6(12)13-8(5,11)7(9)10/h4,7H,2-3H2,1H3
InChIKeyYJFPEPNRLLEDAR-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.48
Rot. Bonds3

About 5-bromo-5-(dibromomethyl)-4-propylfuran-2-one

5-bromo-5-(dibromomethyl)-4-propylfuran-2-one (PubChem CID 10134161) has the molecular formula C8H9Br3O2 and a molecular weight of 376.87 g/mol. Its IUPAC name is 5-bromo-5-(dibromomethyl)-4-propylfuran-2-one.

Molecular Properties

Compound Name5-bromo-5-(dibromomethyl)-4-propylfuran-2-one
PubChem CID10134161
Molecular FormulaC8H9Br3O2
Molecular Weight376.87 g/mol
Exact Mass373.82
IUPAC Name5-bromo-5-(dibromomethyl)-4-propylfuran-2-one
SMILESCCCC1=CC(=O)OC1(Br)C(Br)Br
InChIInChI=1S/C8H9Br3O2/c1-2-3-5-4-6(12)13-8(5,11)7(9)10/h4,7H,2-3H2,1H3
InChIKeyYJFPEPNRLLEDAR-UHFFFAOYSA-N
XLogP3.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-Bromobutyl)-5-(dibromomethylidene)furan-2-one
CID 9865120
4,5-Dibromo-5-(bromomethyl)-3-butylfuran-2-one
CID 21636736
3-bromo-2-butyl-2H-furan-5-one
CID 15864905
(5Z)-5-(bromomethylidene)-4-propylfuran-2-one
CID 9877810
(5Z)-5-(bromomethylidene)-4-butylfuran-2-one
CID 9877975
3-Bromo-5-(bromomethyl)-5-methoxy-4-propylfuran-2-one
CID 9880468
5-Bromo-5-(dibromomethyl)-4-methylfuran-2-one
CID 9902929
(5Z)-3-bromo-5-(bromomethylidene)-4-propylfuran-2-one
CID 9922199
5-Bromo-5-(bromomethyl)-4-hexylfuran-2-one
CID 9924014
(5Z)-3-bromo-5-(bromomethylidene)-4-butylfuran-2-one
CID 9926676
5-(Dibromomethylidene)-4-propylfuran-2-one
CID 9944017
3,5-Dibromo-4-butyl-5-(dibromomethyl)furan-2-one
CID 10162260

Frequently Asked Questions

What is the IUPAC name of 5-bromo-5-(dibromomethyl)-4-propylfuran-2-one?
The IUPAC name of 5-bromo-5-(dibromomethyl)-4-propylfuran-2-one (CID 10134161) is 5-bromo-5-(dibromomethyl)-4-propylfuran-2-one.
What is the SMILES notation for 5-bromo-5-(dibromomethyl)-4-propylfuran-2-one?
The canonical SMILES for 5-bromo-5-(dibromomethyl)-4-propylfuran-2-one is CCCC1=CC(=O)OC1(Br)C(Br)Br.
What is the InChIKey of 5-bromo-5-(dibromomethyl)-4-propylfuran-2-one?
The InChIKey is YJFPEPNRLLEDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br3O2/c1-2-3-5-4-6(12)13-8(5,11)7(9)10/h4,7H,2-3H2,1H3.
What are the key properties of 5-bromo-5-(dibromomethyl)-4-propylfuran-2-one?
5-bromo-5-(dibromomethyl)-4-propylfuran-2-one has a molecular weight of 376.87 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-5-(dibromomethyl)-4-propylfuran-2-one is sourced from PubChem (CID 10134161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).