[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate

C14H21F3O5 — CID 130305136

IUPAC[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
SMILESCC(C)(OC(=O)COC(=O)C(C)(O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C14H21F3O5/c1-12(2,9-6-4-5-7-9)22-10(18)8-21-11(19)13(3,20)14(15,16)17/h9,20H,4-8H2,1-3H3
InChIKeyMXHDYHYZCBWSAN-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.35
Rot. Bonds5

About [2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate

[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate (PubChem CID 130305136) has the molecular formula C14H21F3O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is [2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
PubChem CID130305136
Molecular FormulaC14H21F3O5
Molecular Weight326.31 g/mol
Exact Mass326.13
IUPAC Name[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
SMILESCC(C)(OC(=O)COC(=O)C(C)(O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C14H21F3O5/c1-12(2,9-6-4-5-7-9)22-10(18)8-21-11(19)13(3,20)14(15,16)17/h9,20H,4-8H2,1-3H3
InChIKeyMXHDYHYZCBWSAN-UHFFFAOYSA-N
XLogP2.35
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate?
The IUPAC name of [2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate (CID 130305136) is [2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for [2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate?
The canonical SMILES for [2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate is CC(C)(OC(=O)COC(=O)C(C)(O)C(F)(F)F)C1CCCC1.
What is the InChIKey of [2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate?
The InChIKey is MXHDYHYZCBWSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3O5/c1-12(2,9-6-4-5-7-9)22-10(18)8-21-11(19)13(3,20)14(15,16)17/h9,20H,4-8H2,1-3H3.
What are the key properties of [2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate?
[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate has a molecular weight of 326.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 130305136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).