[2-oxo-2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate

C9H9F5O4 — CID 88882258

IUPAC[2-oxo-2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC(C(F)F)C(F)(F)F
InChIInChI=1S/C9H9F5O4/c1-4(2)8(16)17-3-5(15)18-6(7(10)11)9(12,13)14/h6-7H,1,3H2,2H3
InChIKeyHARGVSIVALFMQK-UHFFFAOYSA-N
MW276.16 g/mol
LogP1.84
Rot. Bonds5

About [2-oxo-2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate

[2-oxo-2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate (PubChem CID 88882258) has the molecular formula C9H9F5O4 and a molecular weight of 276.16 g/mol. Its IUPAC name is [2-oxo-2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate
PubChem CID88882258
Molecular FormulaC9H9F5O4
Molecular Weight276.16 g/mol
Exact Mass276.04
IUPAC Name[2-oxo-2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC(C(F)F)C(F)(F)F
InChIInChI=1S/C9H9F5O4/c1-4(2)8(16)17-3-5(15)18-6(7(10)11)9(12,13)14/h6-7H,1,3H2,2H3
InChIKeyHARGVSIVALFMQK-UHFFFAOYSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-oxo-2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate (CID 88882258) is [2-oxo-2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-oxo-2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-oxo-2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)OC(C(F)F)C(F)(F)F.
What is the InChIKey of [2-oxo-2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate?
The InChIKey is HARGVSIVALFMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5O4/c1-4(2)8(16)17-3-5(15)18-6(7(10)11)9(12,13)14/h6-7H,1,3H2,2H3.
What are the key properties of [2-oxo-2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate?
[2-oxo-2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate has a molecular weight of 276.16 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,1,1,3,3-pentafluoropropan-2-yloxy)ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 88882258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).