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

C10H11Br2FO2 — CID 59760035

IUPAC(5Z)-4-bromo-5-(1-bromoethylidene)-3-(1-fluorobutyl)furan-2-one
SMILESCCCC(F)C1=C(Br)/C(=C(\C)Br)OC1=O
InChIInChI=1S/C10H11Br2FO2/c1-3-4-6(13)7-8(12)9(5(2)11)15-10(7)14/h6H,3-4H2,1-2H3/b9-5-
InChIKeySFOZFNULABLKOH-UITAMQMPSA-N
MW342.00 g/mol
LogP3.96
Rot. Bonds3

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

(5Z)-4-bromo-5-(1-bromoethylidene)-3-(1-fluorobutyl)furan-2-one (PubChem CID 59760035) has the molecular formula C10H11Br2FO2 and a molecular weight of 342.00 g/mol. Its IUPAC name is (5Z)-4-bromo-5-(1-bromoethylidene)-3-(1-fluorobutyl)furan-2-one.

Molecular Properties

Compound Name(5Z)-4-bromo-5-(1-bromoethylidene)-3-(1-fluorobutyl)furan-2-one
PubChem CID59760035
Molecular FormulaC10H11Br2FO2
Molecular Weight342.00 g/mol
Exact Mass339.91
IUPAC Name(5Z)-4-bromo-5-(1-bromoethylidene)-3-(1-fluorobutyl)furan-2-one
SMILESCCCC(F)C1=C(Br)/C(=C(\C)Br)OC1=O
InChIInChI=1S/C10H11Br2FO2/c1-3-4-6(13)7-8(12)9(5(2)11)15-10(7)14/h6H,3-4H2,1-2H3/b9-5-
InChIKeySFOZFNULABLKOH-UITAMQMPSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.00
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-bromo-5-(1-bromoethylidene)-3-(1-fluorobutyl)furan-2-one?
The IUPAC name of (5Z)-4-bromo-5-(1-bromoethylidene)-3-(1-fluorobutyl)furan-2-one (CID 59760035) is (5Z)-4-bromo-5-(1-bromoethylidene)-3-(1-fluorobutyl)furan-2-one.
What is the SMILES notation for (5Z)-4-bromo-5-(1-bromoethylidene)-3-(1-fluorobutyl)furan-2-one?
The canonical SMILES for (5Z)-4-bromo-5-(1-bromoethylidene)-3-(1-fluorobutyl)furan-2-one is CCCC(F)C1=C(Br)/C(=C(\C)Br)OC1=O.
What is the InChIKey of (5Z)-4-bromo-5-(1-bromoethylidene)-3-(1-fluorobutyl)furan-2-one?
The InChIKey is SFOZFNULABLKOH-UITAMQMPSA-N. The full InChI is InChI=1S/C10H11Br2FO2/c1-3-4-6(13)7-8(12)9(5(2)11)15-10(7)14/h6H,3-4H2,1-2H3/b9-5-.
What are the key properties of (5Z)-4-bromo-5-(1-bromoethylidene)-3-(1-fluorobutyl)furan-2-one?
(5Z)-4-bromo-5-(1-bromoethylidene)-3-(1-fluorobutyl)furan-2-one has a molecular weight of 342.00 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-bromo-5-(1-bromoethylidene)-3-(1-fluorobutyl)furan-2-one is sourced from PubChem (CID 59760035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).