2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2,3,3,3-pentafluoropropanoate

C8H4F10O4 — CID 88930193

IUPAC2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OCCOC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F10O4/c9-5(10,7(13,14)15)3(19)21-1-2-22-4(20)6(11,12)8(16,17)18/h1-2H2
InChIKeyCNMNDNGVVAWZNK-UHFFFAOYSA-N
MW354.10 g/mol
LogP2.47
Rot. Bonds5

About 2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2,3,3,3-pentafluoropropanoate

2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 88930193) has the molecular formula C8H4F10O4 and a molecular weight of 354.10 g/mol. Its IUPAC name is 2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID88930193
Molecular FormulaC8H4F10O4
Molecular Weight354.10 g/mol
Exact Mass353.99
IUPAC Name2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OCCOC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F10O4/c9-5(10,7(13,14)15)3(19)21-1-2-22-4(20)6(11,12)8(16,17)18/h1-2H2
InChIKeyCNMNDNGVVAWZNK-UHFFFAOYSA-N
XLogP2.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.10
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2,3,3,3-pentafluoropropanoate (CID 88930193) is 2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2,3,3,3-pentafluoropropanoate is O=C(OCCOC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is CNMNDNGVVAWZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F10O4/c9-5(10,7(13,14)15)3(19)21-1-2-22-4(20)6(11,12)8(16,17)18/h1-2H2.
What are the key properties of 2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2,3,3,3-pentafluoropropanoate?
2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 354.10 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 88930193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).