ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate

C11H17F3O4 — CID 14435894

IUPACethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate
SMILESCCCC(C(=O)OCC)C1(C(F)(F)F)OCCO1
InChIInChI=1S/C11H17F3O4/c1-3-5-8(9(15)16-4-2)10(11(12,13)14)17-6-7-18-10/h8H,3-7H2,1-2H3
InChIKeyKZAFZISJSNJIBL-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.27
Rot. Bonds5

About ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate

ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate (PubChem CID 14435894) has the molecular formula C11H17F3O4 and a molecular weight of 270.25 g/mol. Its IUPAC name is ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate
PubChem CID14435894
Molecular FormulaC11H17F3O4
Molecular Weight270.25 g/mol
Exact Mass270.11
IUPAC Nameethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate
SMILESCCCC(C(=O)OCC)C1(C(F)(F)F)OCCO1
InChIInChI=1S/C11H17F3O4/c1-3-5-8(9(15)16-4-2)10(11(12,13)14)17-6-7-18-10/h8H,3-7H2,1-2H3
InChIKeyKZAFZISJSNJIBL-UHFFFAOYSA-N
XLogP2.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate?
The IUPAC name of ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate (CID 14435894) is ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate.
What is the SMILES notation for ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate?
The canonical SMILES for ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate is CCCC(C(=O)OCC)C1(C(F)(F)F)OCCO1.
What is the InChIKey of ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate?
The InChIKey is KZAFZISJSNJIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O4/c1-3-5-8(9(15)16-4-2)10(11(12,13)14)17-6-7-18-10/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate?
ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate has a molecular weight of 270.25 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]pentanoate is sourced from PubChem (CID 14435894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).