[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate

C10H13F3O4 — CID 58975622

IUPAC[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)OCC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H13F3O4/c1-6(10(11,12)13)8(15)16-5-7(14)17-9(2,3)4/h1,5H2,2-4H3
InChIKeyBEAXYCRDZJBVEI-UHFFFAOYSA-N
MW254.20 g/mol
LogP1.99
Rot. Bonds3

About [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate (PubChem CID 58975622) has the molecular formula C10H13F3O4 and a molecular weight of 254.20 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate
PubChem CID58975622
Molecular FormulaC10H13F3O4
Molecular Weight254.20 g/mol
Exact Mass254.08
IUPAC Name[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate
SMILESC=C(C(=O)OCC(=O)OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H13F3O4/c1-6(10(11,12)13)8(15)16-5-7(14)17-9(2,3)4/h1,5H2,2-4H3
InChIKeyBEAXYCRDZJBVEI-UHFFFAOYSA-N
XLogP1.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 51.99
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-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate (CID 58975622) is [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate is C=C(C(=O)OCC(=O)OC(C)(C)C)C(F)(F)F.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate?
The InChIKey is BEAXYCRDZJBVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O4/c1-6(10(11,12)13)8(15)16-5-7(14)17-9(2,3)4/h1,5H2,2-4H3.
What are the key properties of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate?
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate has a molecular weight of 254.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 58975622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).