(5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one

C11H7F7O4 — CID 102045711

IUPAC(5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one
SMILESCCC1=C(O)C(=O)O/C1=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F7O4/c1-2-4-5(22-8(21)7(4)20)3-6(19)9(12,13)10(14,15)11(16,17)18/h3,20H,2H2,1H3/b5-3-
InChIKeyCQKLIMXSDYJXCB-HYXAFXHYSA-N
MW336.16 g/mol
LogP3.05
Rot. Bonds4

About (5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one

(5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one (PubChem CID 102045711) has the molecular formula C11H7F7O4 and a molecular weight of 336.16 g/mol. Its IUPAC name is (5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one.

Molecular Properties

Compound Name(5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one
PubChem CID102045711
Molecular FormulaC11H7F7O4
Molecular Weight336.16 g/mol
Exact Mass336.02
IUPAC Name(5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one
SMILESCCC1=C(O)C(=O)O/C1=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F7O4/c1-2-4-5(22-8(21)7(4)20)3-6(19)9(12,13)10(14,15)11(16,17)18/h3,20H,2H2,1H3/b5-3-
InChIKeyCQKLIMXSDYJXCB-HYXAFXHYSA-N
XLogP3.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one with MolForge

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Related Compounds

(5E)-4-butyl-3-hydroxy-5-(3,3,3-trifluoro-2-oxopropylidene)furan-2-one
CID 102045718
(5E)-4-hexyl-3-hydroxy-5-(3,3,3-trifluoro-2-oxopropylidene)furan-2-one
CID 102045719
(5E)-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one
CID 102045720

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one?
The IUPAC name of (5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one (CID 102045711) is (5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one.
What is the SMILES notation for (5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one?
The canonical SMILES for (5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one is CCC1=C(O)C(=O)O/C1=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one?
The InChIKey is CQKLIMXSDYJXCB-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H7F7O4/c1-2-4-5(22-8(21)7(4)20)3-6(19)9(12,13)10(14,15)11(16,17)18/h3,20H,2H2,1H3/b5-3-.
What are the key properties of (5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one?
(5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one has a molecular weight of 336.16 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-ethyl-5-(3,3,4,4,5,5,5-heptafluoro-2-oxopentylidene)-3-hydroxyfuran-2-one is sourced from PubChem (CID 102045711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).