4-bromo-5-(bromomethylidene)-3-(1-fluorohexyl)furan-2-one

C11H13Br2FO2 — CID 85069018

IUPAC4-bromo-5-(bromomethylidene)-3-(1-fluorohexyl)furan-2-one
SMILESCCCCCC(F)C1=C(Br)C(=CBr)OC1=O
InChIInChI=1S/C11H13Br2FO2/c1-2-3-4-5-7(14)9-10(13)8(6-12)16-11(9)15/h6-7H,2-5H2,1H3
InChIKeyAXOKRUSXRZHFAP-UHFFFAOYSA-N
MW356.03 g/mol
LogP4.35
Rot. Bonds5

About 4-bromo-5-(bromomethylidene)-3-(1-fluorohexyl)furan-2-one

4-bromo-5-(bromomethylidene)-3-(1-fluorohexyl)furan-2-one (PubChem CID 85069018) has the molecular formula C11H13Br2FO2 and a molecular weight of 356.03 g/mol. Its IUPAC name is 4-bromo-5-(bromomethylidene)-3-(1-fluorohexyl)furan-2-one.

Molecular Properties

Compound Name4-bromo-5-(bromomethylidene)-3-(1-fluorohexyl)furan-2-one
PubChem CID85069018
Molecular FormulaC11H13Br2FO2
Molecular Weight356.03 g/mol
Exact Mass353.93
IUPAC Name4-bromo-5-(bromomethylidene)-3-(1-fluorohexyl)furan-2-one
SMILESCCCCCC(F)C1=C(Br)C(=CBr)OC1=O
InChIInChI=1S/C11H13Br2FO2/c1-2-3-4-5-7(14)9-10(13)8(6-12)16-11(9)15/h6-7H,2-5H2,1H3
InChIKeyAXOKRUSXRZHFAP-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.03
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2(5H)-Furanone, 4-bromo-3-butyl-5-(dibromomethylene)-
CID 362385
4-Bromo-5-(Bromomethylene)-3-Butyl-2(5H)-Furanone
CID 9839657
3-(1-Bromobutyl)-5-(dibromomethylidene)furan-2-one
CID 9865120
(5Z)-4-Bromo-3-(1-bromohexyl)-5-(bromomethylene)-2(5H)-furanone
CID 9854059
(5Z)-4-bromo-5-(bromomethylidene)-3-hexylfuran-2-one
CID 16127328
(5Z)-4-bromo-3-(1-bromobutyl)-5-(bromomethylidene)furan-2-one
CID 21024128
Fimbrolide
CID 9796693
4-Bromo-3-hexyl-5-methylidenefuran-2-one
CID 46912756
(5Z)-5-(bromomethylidene)-3-hexylfuran-2-one
CID 52941579
(5Z)-4-bromo-5-(bromomethylidene)-3-octylfuran-2-one
CID 52950214
(5Z)-4-bromo-5-(bromomethylidene)-3-dodecylfuran-2-one
CID 10180544
3-hexyl-5-dibromomethylene-2(5H)-furanone
CID 21636733

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(bromomethylidene)-3-(1-fluorohexyl)furan-2-one?
The IUPAC name of 4-bromo-5-(bromomethylidene)-3-(1-fluorohexyl)furan-2-one (CID 85069018) is 4-bromo-5-(bromomethylidene)-3-(1-fluorohexyl)furan-2-one.
What is the SMILES notation for 4-bromo-5-(bromomethylidene)-3-(1-fluorohexyl)furan-2-one?
The canonical SMILES for 4-bromo-5-(bromomethylidene)-3-(1-fluorohexyl)furan-2-one is CCCCCC(F)C1=C(Br)C(=CBr)OC1=O.
What is the InChIKey of 4-bromo-5-(bromomethylidene)-3-(1-fluorohexyl)furan-2-one?
The InChIKey is AXOKRUSXRZHFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2FO2/c1-2-3-4-5-7(14)9-10(13)8(6-12)16-11(9)15/h6-7H,2-5H2,1H3.
What are the key properties of 4-bromo-5-(bromomethylidene)-3-(1-fluorohexyl)furan-2-one?
4-bromo-5-(bromomethylidene)-3-(1-fluorohexyl)furan-2-one has a molecular weight of 356.03 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(bromomethylidene)-3-(1-fluorohexyl)furan-2-one is sourced from PubChem (CID 85069018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).