propanoyl 2,2,3,3,3-pentafluoropropanoate

C6H5F5O3 — CID 22105194

IUPACpropanoyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCC(=O)OC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F5O3/c1-2-3(12)14-4(13)5(7,8)6(9,10)11/h2H2,1H3
InChIKeyXQQOKSYVXMDDTM-UHFFFAOYSA-N
MW220.09 g/mol
LogP1.66
Rot. Bonds2

About propanoyl 2,2,3,3,3-pentafluoropropanoate

propanoyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 22105194) has the molecular formula C6H5F5O3 and a molecular weight of 220.09 g/mol. Its IUPAC name is propanoyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Namepropanoyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID22105194
Molecular FormulaC6H5F5O3
Molecular Weight220.09 g/mol
Exact Mass220.02
IUPAC Namepropanoyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCC(=O)OC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F5O3/c1-2-3(12)14-4(13)5(7,8)6(9,10)11/h2H2,1H3
InChIKeyXQQOKSYVXMDDTM-UHFFFAOYSA-N
XLogP1.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propanoyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of propanoyl 2,2,3,3,3-pentafluoropropanoate (CID 22105194) is propanoyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for propanoyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for propanoyl 2,2,3,3,3-pentafluoropropanoate is CCC(=O)OC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of propanoyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is XQQOKSYVXMDDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5O3/c1-2-3(12)14-4(13)5(7,8)6(9,10)11/h2H2,1H3.
What are the key properties of propanoyl 2,2,3,3,3-pentafluoropropanoate?
propanoyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 220.09 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propanoyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 22105194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).