[2-oxo-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]ethyl] 2-methylprop-2-enoate

C10H10F6O5 — CID 25212002

IUPAC[2-oxo-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O5/c1-5(2)7(18)20-3-6(17)21-4-8(19,9(11,12)13)10(14,15)16/h19H,1,3-4H2,2H3
InChIKeyPBHDRCQXYRWSSR-UHFFFAOYSA-N
MW324.17 g/mol
LogP1.50
Rot. Bonds5

About [2-oxo-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]ethyl] 2-methylprop-2-enoate

[2-oxo-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]ethyl] 2-methylprop-2-enoate (PubChem CID 25212002) has the molecular formula C10H10F6O5 and a molecular weight of 324.17 g/mol. Its IUPAC name is [2-oxo-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]ethyl] 2-methylprop-2-enoate
PubChem CID25212002
Molecular FormulaC10H10F6O5
Molecular Weight324.17 g/mol
Exact Mass324.04
IUPAC Name[2-oxo-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O5/c1-5(2)7(18)20-3-6(17)21-4-8(19,9(11,12)13)10(14,15)16/h19H,1,3-4H2,2H3
InChIKeyPBHDRCQXYRWSSR-UHFFFAOYSA-N
XLogP1.50
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]ethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-oxo-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]ethyl] 2-methylprop-2-enoate (CID 25212002) is [2-oxo-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-oxo-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-oxo-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)OCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [2-oxo-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]ethyl] 2-methylprop-2-enoate?
The InChIKey is PBHDRCQXYRWSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O5/c1-5(2)7(18)20-3-6(17)21-4-8(19,9(11,12)13)10(14,15)16/h19H,1,3-4H2,2H3.
What are the key properties of [2-oxo-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]ethyl] 2-methylprop-2-enoate?
[2-oxo-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]ethyl] 2-methylprop-2-enoate has a molecular weight of 324.17 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 25212002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).