3-(2,2,3,3,3-pentafluoropropanoyloxy)butanoic acid

C7H7F5O4 — CID 91710261

IUPAC3-(2,2,3,3,3-pentafluoropropanoyloxy)butanoic acid
SMILESCC(CC(=O)O)OC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F5O4/c1-3(2-4(13)14)16-5(15)6(8,9)7(10,11)12/h3H,2H2,1H3,(H,13,14)
InChIKeyZTPLUBBHELQQIZ-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.59
Rot. Bonds4

About 3-(2,2,3,3,3-pentafluoropropanoyloxy)butanoic acid

3-(2,2,3,3,3-pentafluoropropanoyloxy)butanoic acid (PubChem CID 91710261) has the molecular formula C7H7F5O4 and a molecular weight of 250.12 g/mol. Its IUPAC name is 3-(2,2,3,3,3-pentafluoropropanoyloxy)butanoic acid.

Molecular Properties

Compound Name3-(2,2,3,3,3-pentafluoropropanoyloxy)butanoic acid
PubChem CID91710261
Molecular FormulaC7H7F5O4
Molecular Weight250.12 g/mol
Exact Mass250.03
IUPAC Name3-(2,2,3,3,3-pentafluoropropanoyloxy)butanoic acid
SMILESCC(CC(=O)O)OC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F5O4/c1-3(2-4(13)14)16-5(15)6(8,9)7(10,11)12/h3H,2H2,1H3,(H,13,14)
InChIKeyZTPLUBBHELQQIZ-UHFFFAOYSA-N
XLogP1.59
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3,3-pentafluoropropanoyloxy)butanoic acid?
The IUPAC name of 3-(2,2,3,3,3-pentafluoropropanoyloxy)butanoic acid (CID 91710261) is 3-(2,2,3,3,3-pentafluoropropanoyloxy)butanoic acid.
What is the SMILES notation for 3-(2,2,3,3,3-pentafluoropropanoyloxy)butanoic acid?
The canonical SMILES for 3-(2,2,3,3,3-pentafluoropropanoyloxy)butanoic acid is CC(CC(=O)O)OC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-(2,2,3,3,3-pentafluoropropanoyloxy)butanoic acid?
The InChIKey is ZTPLUBBHELQQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5O4/c1-3(2-4(13)14)16-5(15)6(8,9)7(10,11)12/h3H,2H2,1H3,(H,13,14).
What are the key properties of 3-(2,2,3,3,3-pentafluoropropanoyloxy)butanoic acid?
3-(2,2,3,3,3-pentafluoropropanoyloxy)butanoic acid has a molecular weight of 250.12 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3,3-pentafluoropropanoyloxy)butanoic acid is sourced from PubChem (CID 91710261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).