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

C9H9Br2FO2 — CID 85064075

IUPAC4-bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one
SMILESCCCC(F)C1=C(Br)C(=CBr)OC1=O
InChIInChI=1S/C9H9Br2FO2/c1-2-3-5(12)7-8(11)6(4-10)14-9(7)13/h4-5H,2-3H2,1H3
InChIKeyBIGNWHDBEFTQKR-UHFFFAOYSA-N
MW327.98 g/mol
LogP3.57
Rot. Bonds3

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

4-bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one (PubChem CID 85064075) has the molecular formula C9H9Br2FO2 and a molecular weight of 327.98 g/mol. Its IUPAC name is 4-bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one.

Molecular Properties

Compound Name4-bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one
PubChem CID85064075
Molecular FormulaC9H9Br2FO2
Molecular Weight327.98 g/mol
Exact Mass325.90
IUPAC Name4-bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one
SMILESCCCC(F)C1=C(Br)C(=CBr)OC1=O
InChIInChI=1S/C9H9Br2FO2/c1-2-3-5(12)7-8(11)6(4-10)14-9(7)13/h4-5H,2-3H2,1H3
InChIKeyBIGNWHDBEFTQKR-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.98
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-[(5Z)-4-bromo-5-(bromomethylene)-2-oxo-3-furyl]butyl] acetate
CID 6475695
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
Vatikjqhkghwik-uhfffaoysa-
CID 9815158
Acetoxyfimbrolide
CID 10090405
(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
(5Z)-5-(bromomethylidene)-3-butylfuran-2-one
CID 24831300
4-Bromo-3-hexyl-5-methylidenefuran-2-one
CID 46912756

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one?
The IUPAC name of 4-bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one (CID 85064075) is 4-bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one.
What is the SMILES notation for 4-bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one?
The canonical SMILES for 4-bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one is CCCC(F)C1=C(Br)C(=CBr)OC1=O.
What is the InChIKey of 4-bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one?
The InChIKey is BIGNWHDBEFTQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2FO2/c1-2-3-5(12)7-8(11)6(4-10)14-9(7)13/h4-5H,2-3H2,1H3.
What are the key properties of 4-bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one?
4-bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one has a molecular weight of 327.98 g/mol, XLogP of 3.57, 3 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-fluorobutyl)furan-2-one is sourced from PubChem (CID 85064075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).