[1,1,2-trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate

C8H11F5O4 — CID 58692140

IUPAC[1,1,2-trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate
SMILESCCC(=O)OC(F)(F)C(F)(OCF)OCCF
InChIInChI=1S/C8H11F5O4/c1-2-6(14)17-7(11,12)8(13,16-5-10)15-4-3-9/h2-5H2,1H3
InChIKeyTZYZRUAPVXDXDY-UHFFFAOYSA-N
MW266.16 g/mol
LogP2.09
Rot. Bonds8

About [1,1,2-trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate

[1,1,2-trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate (PubChem CID 58692140) has the molecular formula C8H11F5O4 and a molecular weight of 266.16 g/mol. Its IUPAC name is [1,1,2-trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate.

Molecular Properties

Compound Name[1,1,2-trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate
PubChem CID58692140
Molecular FormulaC8H11F5O4
Molecular Weight266.16 g/mol
Exact Mass266.06
IUPAC Name[1,1,2-trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate
SMILESCCC(=O)OC(F)(F)C(F)(OCF)OCCF
InChIInChI=1S/C8H11F5O4/c1-2-6(14)17-7(11,12)8(13,16-5-10)15-4-3-9/h2-5H2,1H3
InChIKeyTZYZRUAPVXDXDY-UHFFFAOYSA-N
XLogP2.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,1,2-trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate?
The IUPAC name of [1,1,2-trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate (CID 58692140) is [1,1,2-trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate.
What is the SMILES notation for [1,1,2-trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate?
The canonical SMILES for [1,1,2-trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate is CCC(=O)OC(F)(F)C(F)(OCF)OCCF.
What is the InChIKey of [1,1,2-trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate?
The InChIKey is TZYZRUAPVXDXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5O4/c1-2-6(14)17-7(11,12)8(13,16-5-10)15-4-3-9/h2-5H2,1H3.
What are the key properties of [1,1,2-trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate?
[1,1,2-trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate has a molecular weight of 266.16 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2-trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate is sourced from PubChem (CID 58692140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).