(E)-2-(1,1,2,2,2-pentafluoroethoxy)pent-2-enoic acid

C7H7F5O3 — CID 88818730

IUPAC(E)-2-(1,1,2,2,2-pentafluoroethoxy)pent-2-enoic acid
SMILESCC/C=C(/OC(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H7F5O3/c1-2-3-4(5(13)14)15-7(11,12)6(8,9)10/h3H,2H2,1H3,(H,13,14)/b4-3+
InChIKeyXOUQYWMWMFRJAY-ONEGZZNKSA-N
MW234.12 g/mol
LogP2.54
Rot. Bonds4

About (E)-2-(1,1,2,2,2-pentafluoroethoxy)pent-2-enoic acid

(E)-2-(1,1,2,2,2-pentafluoroethoxy)pent-2-enoic acid (PubChem CID 88818730) has the molecular formula C7H7F5O3 and a molecular weight of 234.12 g/mol. Its IUPAC name is (E)-2-(1,1,2,2,2-pentafluoroethoxy)pent-2-enoic acid.

Molecular Properties

Compound Name(E)-2-(1,1,2,2,2-pentafluoroethoxy)pent-2-enoic acid
PubChem CID88818730
Molecular FormulaC7H7F5O3
Molecular Weight234.12 g/mol
Exact Mass234.03
IUPAC Name(E)-2-(1,1,2,2,2-pentafluoroethoxy)pent-2-enoic acid
SMILESCC/C=C(/OC(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H7F5O3/c1-2-3-4(5(13)14)15-7(11,12)6(8,9)10/h3H,2H2,1H3,(H,13,14)/b4-3+
InChIKeyXOUQYWMWMFRJAY-ONEGZZNKSA-N
XLogP2.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-2-(1,1,2,2,2-pentafluoroethoxy)pent-2-enoic acid?
The IUPAC name of (E)-2-(1,1,2,2,2-pentafluoroethoxy)pent-2-enoic acid (CID 88818730) is (E)-2-(1,1,2,2,2-pentafluoroethoxy)pent-2-enoic acid.
What is the SMILES notation for (E)-2-(1,1,2,2,2-pentafluoroethoxy)pent-2-enoic acid?
The canonical SMILES for (E)-2-(1,1,2,2,2-pentafluoroethoxy)pent-2-enoic acid is CC/C=C(/OC(F)(F)C(F)(F)F)C(=O)O.
What is the InChIKey of (E)-2-(1,1,2,2,2-pentafluoroethoxy)pent-2-enoic acid?
The InChIKey is XOUQYWMWMFRJAY-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H7F5O3/c1-2-3-4(5(13)14)15-7(11,12)6(8,9)10/h3H,2H2,1H3,(H,13,14)/b4-3+.
What are the key properties of (E)-2-(1,1,2,2,2-pentafluoroethoxy)pent-2-enoic acid?
(E)-2-(1,1,2,2,2-pentafluoroethoxy)pent-2-enoic acid has a molecular weight of 234.12 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1,1,2,2,2-pentafluoroethoxy)pent-2-enoic acid is sourced from PubChem (CID 88818730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).