2-(trifluoromethoxy)ethyl 2-(trifluoromethoxy)acetate

C6H6F6O4 — CID 86216450

IUPAC2-(trifluoromethoxy)ethyl 2-(trifluoromethoxy)acetate
SMILESO=C(COC(F)(F)F)OCCOC(F)(F)F
InChIInChI=1S/C6H6F6O4/c7-5(8,9)15-2-1-14-4(13)3-16-6(10,11)12/h1-3H2
InChIKeyNCQCMBNCSMDGLP-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.60
Rot. Bonds5

About 2-(trifluoromethoxy)ethyl 2-(trifluoromethoxy)acetate

2-(trifluoromethoxy)ethyl 2-(trifluoromethoxy)acetate (PubChem CID 86216450) has the molecular formula C6H6F6O4 and a molecular weight of 256.10 g/mol. Its IUPAC name is 2-(trifluoromethoxy)ethyl 2-(trifluoromethoxy)acetate.

Molecular Properties

Compound Name2-(trifluoromethoxy)ethyl 2-(trifluoromethoxy)acetate
PubChem CID86216450
Molecular FormulaC6H6F6O4
Molecular Weight256.10 g/mol
Exact Mass256.02
IUPAC Name2-(trifluoromethoxy)ethyl 2-(trifluoromethoxy)acetate
SMILESO=C(COC(F)(F)F)OCCOC(F)(F)F
InChIInChI=1S/C6H6F6O4/c7-5(8,9)15-2-1-14-4(13)3-16-6(10,11)12/h1-3H2
InChIKeyNCQCMBNCSMDGLP-UHFFFAOYSA-N
XLogP1.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)ethyl 2-(trifluoromethoxy)acetate?
The IUPAC name of 2-(trifluoromethoxy)ethyl 2-(trifluoromethoxy)acetate (CID 86216450) is 2-(trifluoromethoxy)ethyl 2-(trifluoromethoxy)acetate.
What is the SMILES notation for 2-(trifluoromethoxy)ethyl 2-(trifluoromethoxy)acetate?
The canonical SMILES for 2-(trifluoromethoxy)ethyl 2-(trifluoromethoxy)acetate is O=C(COC(F)(F)F)OCCOC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)ethyl 2-(trifluoromethoxy)acetate?
The InChIKey is NCQCMBNCSMDGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O4/c7-5(8,9)15-2-1-14-4(13)3-16-6(10,11)12/h1-3H2.
What are the key properties of 2-(trifluoromethoxy)ethyl 2-(trifluoromethoxy)acetate?
2-(trifluoromethoxy)ethyl 2-(trifluoromethoxy)acetate has a molecular weight of 256.10 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)ethyl 2-(trifluoromethoxy)acetate is sourced from PubChem (CID 86216450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).