(Z)-2-(1,1,2,2-tetrafluoroethoxy)but-2-enedioic acid

C6H4F4O5 — CID 140672871

IUPAC(Z)-2-(1,1,2,2-tetrafluoroethoxy)but-2-enedioic acid
SMILESO=C(O)/C=C(\OC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C6H4F4O5/c7-5(8)6(9,10)15-2(4(13)14)1-3(11)12/h1,5H,(H,11,12)(H,13,14)/b2-1-
InChIKeyVPAYFBRGIKVXSR-UPHRSURJSA-N
MW232.08 g/mol
LogP0.91
Rot. Bonds5

About (Z)-2-(1,1,2,2-tetrafluoroethoxy)but-2-enedioic acid

(Z)-2-(1,1,2,2-tetrafluoroethoxy)but-2-enedioic acid (PubChem CID 140672871) has the molecular formula C6H4F4O5 and a molecular weight of 232.08 g/mol. Its IUPAC name is (Z)-2-(1,1,2,2-tetrafluoroethoxy)but-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2-(1,1,2,2-tetrafluoroethoxy)but-2-enedioic acid
PubChem CID140672871
Molecular FormulaC6H4F4O5
Molecular Weight232.08 g/mol
Exact Mass232.00
IUPAC Name(Z)-2-(1,1,2,2-tetrafluoroethoxy)but-2-enedioic acid
SMILESO=C(O)/C=C(\OC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C6H4F4O5/c7-5(8)6(9,10)15-2(4(13)14)1-3(11)12/h1,5H,(H,11,12)(H,13,14)/b2-1-
InChIKeyVPAYFBRGIKVXSR-UPHRSURJSA-N
XLogP0.91
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 (Z)-2-(1,1,2,2-tetrafluoroethoxy)but-2-enedioic acid?
The IUPAC name of (Z)-2-(1,1,2,2-tetrafluoroethoxy)but-2-enedioic acid (CID 140672871) is (Z)-2-(1,1,2,2-tetrafluoroethoxy)but-2-enedioic acid.
What is the SMILES notation for (Z)-2-(1,1,2,2-tetrafluoroethoxy)but-2-enedioic acid?
The canonical SMILES for (Z)-2-(1,1,2,2-tetrafluoroethoxy)but-2-enedioic acid is O=C(O)/C=C(\OC(F)(F)C(F)F)C(=O)O.
What is the InChIKey of (Z)-2-(1,1,2,2-tetrafluoroethoxy)but-2-enedioic acid?
The InChIKey is VPAYFBRGIKVXSR-UPHRSURJSA-N. The full InChI is InChI=1S/C6H4F4O5/c7-5(8)6(9,10)15-2(4(13)14)1-3(11)12/h1,5H,(H,11,12)(H,13,14)/b2-1-.
What are the key properties of (Z)-2-(1,1,2,2-tetrafluoroethoxy)but-2-enedioic acid?
(Z)-2-(1,1,2,2-tetrafluoroethoxy)but-2-enedioic acid has a molecular weight of 232.08 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1,1,2,2-tetrafluoroethoxy)but-2-enedioic acid is sourced from PubChem (CID 140672871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).