2,2,3,3-tetrafluoro-4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid

C9H8F4O6 — CID 146181560

IUPAC2,2,3,3-tetrafluoro-4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid
SMILESC=CC(=O)OCCOC(=O)C(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C9H8F4O6/c1-2-5(14)18-3-4-19-7(17)9(12,13)8(10,11)6(15)16/h2H,1,3-4H2,(H,15,16)
InChIKeyCSLIYOLZFORNIX-UHFFFAOYSA-N
MW288.15 g/mol
LogP0.61
Rot. Bonds7

About 2,2,3,3-tetrafluoro-4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid

2,2,3,3-tetrafluoro-4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid (PubChem CID 146181560) has the molecular formula C9H8F4O6 and a molecular weight of 288.15 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid
PubChem CID146181560
Molecular FormulaC9H8F4O6
Molecular Weight288.15 g/mol
Exact Mass288.03
IUPAC Name2,2,3,3-tetrafluoro-4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid
SMILESC=CC(=O)OCCOC(=O)C(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C9H8F4O6/c1-2-5(14)18-3-4-19-7(17)9(12,13)8(10,11)6(15)16/h2H,1,3-4H2,(H,15,16)
InChIKeyCSLIYOLZFORNIX-UHFFFAOYSA-N
XLogP0.61
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid (CID 146181560) is 2,2,3,3-tetrafluoro-4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid is C=CC(=O)OCCOC(=O)C(F)(F)C(F)(F)C(=O)O.
What is the InChIKey of 2,2,3,3-tetrafluoro-4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid?
The InChIKey is CSLIYOLZFORNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O6/c1-2-5(14)18-3-4-19-7(17)9(12,13)8(10,11)6(15)16/h2H,1,3-4H2,(H,15,16).
What are the key properties of 2,2,3,3-tetrafluoro-4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid?
2,2,3,3-tetrafluoro-4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid has a molecular weight of 288.15 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid is sourced from PubChem (CID 146181560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).