prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate

C9H5F9O4 — CID 88513511

IUPACprop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate
SMILESC=CCOC(=O)C(F)(OC(F)(F)C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F9O4/c1-2-3-21-5(20)6(10,9(16,17)18)22-8(14,15)4(19)7(11,12)13/h2H,1,3H2
InChIKeyJVGRVHAZUMJZIA-UHFFFAOYSA-N
MW348.12 g/mol
LogP2.68
Rot. Bonds6

About prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate

prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate (PubChem CID 88513511) has the molecular formula C9H5F9O4 and a molecular weight of 348.12 g/mol. Its IUPAC name is prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate.

Molecular Properties

Compound Nameprop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate
PubChem CID88513511
Molecular FormulaC9H5F9O4
Molecular Weight348.12 g/mol
Exact Mass348.00
IUPAC Nameprop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate
SMILESC=CCOC(=O)C(F)(OC(F)(F)C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F9O4/c1-2-3-21-5(20)6(10,9(16,17)18)22-8(14,15)4(19)7(11,12)13/h2H,1,3H2
InChIKeyJVGRVHAZUMJZIA-UHFFFAOYSA-N
XLogP2.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.12
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate?
The IUPAC name of prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate (CID 88513511) is prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate.
What is the SMILES notation for prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate?
The canonical SMILES for prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate is C=CCOC(=O)C(F)(OC(F)(F)C(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate?
The InChIKey is JVGRVHAZUMJZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F9O4/c1-2-3-21-5(20)6(10,9(16,17)18)22-8(14,15)4(19)7(11,12)13/h2H,1,3H2.
What are the key properties of prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate?
prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate has a molecular weight of 348.12 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate is sourced from PubChem (CID 88513511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).