2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid

C8H7F5O5 — CID 88753540

IUPAC2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid
SMILESC=CCOC(F)(C(F)(F)C(=O)O)C(F)(F)C(=O)O
InChIInChI=1S/C8H7F5O5/c1-2-3-18-8(13,6(9,10)4(14)15)7(11,12)5(16)17/h2H,1,3H2,(H,14,15)(H,16,17)
InChIKeyZRIPKRYGDUTTAP-UHFFFAOYSA-N
MW278.13 g/mol
LogP1.29
Rot. Bonds7

About 2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid

2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid (PubChem CID 88753540) has the molecular formula C8H7F5O5 and a molecular weight of 278.13 g/mol. Its IUPAC name is 2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid.

Molecular Properties

Compound Name2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid
PubChem CID88753540
Molecular FormulaC8H7F5O5
Molecular Weight278.13 g/mol
Exact Mass278.02
IUPAC Name2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid
SMILESC=CCOC(F)(C(F)(F)C(=O)O)C(F)(F)C(=O)O
InChIInChI=1S/C8H7F5O5/c1-2-3-18-8(13,6(9,10)4(14)15)7(11,12)5(16)17/h2H,1,3H2,(H,14,15)(H,16,17)
InChIKeyZRIPKRYGDUTTAP-UHFFFAOYSA-N
XLogP1.29
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid?
The IUPAC name of 2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid (CID 88753540) is 2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid.
What is the SMILES notation for 2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid?
The canonical SMILES for 2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid is C=CCOC(F)(C(F)(F)C(=O)O)C(F)(F)C(=O)O.
What is the InChIKey of 2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid?
The InChIKey is ZRIPKRYGDUTTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5O5/c1-2-3-18-8(13,6(9,10)4(14)15)7(11,12)5(16)17/h2H,1,3H2,(H,14,15)(H,16,17).
What are the key properties of 2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid?
2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid has a molecular weight of 278.13 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid is sourced from PubChem (CID 88753540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).