2,2,3,3-tetrafluoropropyl 2-oxopropanoate

C6H6F4O3 — CID 20705844

IUPAC2,2,3,3-tetrafluoropropyl 2-oxopropanoate
SMILESCC(=O)C(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C6H6F4O3/c1-3(11)4(12)13-2-6(9,10)5(7)8/h5H,2H2,1H3
InChIKeyYKBUHIXKJLETIG-UHFFFAOYSA-N
MW202.10 g/mol
LogP1.02
Rot. Bonds4

About 2,2,3,3-tetrafluoropropyl 2-oxopropanoate

2,2,3,3-tetrafluoropropyl 2-oxopropanoate (PubChem CID 20705844) has the molecular formula C6H6F4O3 and a molecular weight of 202.10 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl 2-oxopropanoate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl 2-oxopropanoate
PubChem CID20705844
Molecular FormulaC6H6F4O3
Molecular Weight202.10 g/mol
Exact Mass202.03
IUPAC Name2,2,3,3-tetrafluoropropyl 2-oxopropanoate
SMILESCC(=O)C(=O)OCC(F)(F)C(F)F
InChIInChI=1S/C6H6F4O3/c1-3(11)4(12)13-2-6(9,10)5(7)8/h5H,2H2,1H3
InChIKeyYKBUHIXKJLETIG-UHFFFAOYSA-N
XLogP1.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.10
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropyl 2-oxopropanoate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl 2-oxopropanoate (CID 20705844) is 2,2,3,3-tetrafluoropropyl 2-oxopropanoate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl 2-oxopropanoate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl 2-oxopropanoate is CC(=O)C(=O)OCC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl 2-oxopropanoate?
The InChIKey is YKBUHIXKJLETIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4O3/c1-3(11)4(12)13-2-6(9,10)5(7)8/h5H,2H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoropropyl 2-oxopropanoate?
2,2,3,3-tetrafluoropropyl 2-oxopropanoate has a molecular weight of 202.10 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl 2-oxopropanoate is sourced from PubChem (CID 20705844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).