[1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate

C17H25F3O4 — CID 20608155

IUPAC[1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate
SMILESCCC1CC(CC)C(C(C)(OC(=O)C(F)(F)F)C2CCOC2=O)C1
InChIInChI=1S/C17H25F3O4/c1-4-10-8-11(5-2)13(9-10)16(3,12-6-7-23-14(12)21)24-15(22)17(18,19)20/h10-13H,4-9H2,1-3H3
InChIKeyQIDGVPFRKULUBC-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.88
Rot. Bonds5

About [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate

[1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate (PubChem CID 20608155) has the molecular formula C17H25F3O4 and a molecular weight of 350.38 g/mol. Its IUPAC name is [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate
PubChem CID20608155
Molecular FormulaC17H25F3O4
Molecular Weight350.38 g/mol
Exact Mass350.17
IUPAC Name[1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate
SMILESCCC1CC(CC)C(C(C)(OC(=O)C(F)(F)F)C2CCOC2=O)C1
InChIInChI=1S/C17H25F3O4/c1-4-10-8-11(5-2)13(9-10)16(3,12-6-7-23-14(12)21)24-15(22)17(18,19)20/h10-13H,4-9H2,1-3H3
InChIKeyQIDGVPFRKULUBC-UHFFFAOYSA-N
XLogP3.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate (CID 20608155) is [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate is CCC1CC(CC)C(C(C)(OC(=O)C(F)(F)F)C2CCOC2=O)C1.
What is the InChIKey of [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate?
The InChIKey is QIDGVPFRKULUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3O4/c1-4-10-8-11(5-2)13(9-10)16(3,12-6-7-23-14(12)21)24-15(22)17(18,19)20/h10-13H,4-9H2,1-3H3.
What are the key properties of [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate?
[1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate has a molecular weight of 350.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-diethylcyclopentyl)-1-(2-oxooxolan-3-yl)ethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 20608155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).