1,1-difluoroethene;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid

C11H14F2O6 — CID 158171503

IUPAC1,1-difluoroethene;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid
SMILESC=C(F)F.C=CC(=O)OCCOC(=O)CCC(=O)O
InChIInChI=1S/C9H12O6.C2H2F2/c1-2-8(12)14-5-6-15-9(13)4-3-7(10)11;1-2(3)4/h2H,1,3-6H2,(H,10,11);1H2
InChIKeyFXMWGSTXZHWFBX-UHFFFAOYSA-N
MW280.22 g/mol
LogP1.52
Rot. Bonds7

About 1,1-difluoroethene;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid

1,1-difluoroethene;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid (PubChem CID 158171503) has the molecular formula C11H14F2O6 and a molecular weight of 280.22 g/mol. Its IUPAC name is 1,1-difluoroethene;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid.

Molecular Properties

Compound Name1,1-difluoroethene;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid
PubChem CID158171503
Molecular FormulaC11H14F2O6
Molecular Weight280.22 g/mol
Exact Mass280.08
IUPAC Name1,1-difluoroethene;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid
SMILESC=C(F)F.C=CC(=O)OCCOC(=O)CCC(=O)O
InChIInChI=1S/C9H12O6.C2H2F2/c1-2-8(12)14-5-6-15-9(13)4-3-7(10)11;1-2(3)4/h2H,1,3-6H2,(H,10,11);1H2
InChIKeyFXMWGSTXZHWFBX-UHFFFAOYSA-N
XLogP1.52
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 51.52
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethene;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid?
The IUPAC name of 1,1-difluoroethene;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid (CID 158171503) is 1,1-difluoroethene;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid.
What is the SMILES notation for 1,1-difluoroethene;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid?
The canonical SMILES for 1,1-difluoroethene;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid is C=C(F)F.C=CC(=O)OCCOC(=O)CCC(=O)O.
What is the InChIKey of 1,1-difluoroethene;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid?
The InChIKey is FXMWGSTXZHWFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O6.C2H2F2/c1-2-8(12)14-5-6-15-9(13)4-3-7(10)11;1-2(3)4/h2H,1,3-6H2,(H,10,11);1H2.
What are the key properties of 1,1-difluoroethene;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid?
1,1-difluoroethene;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid has a molecular weight of 280.22 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethene;4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid is sourced from PubChem (CID 158171503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).