1-ethoxy-2-(trifluoromethoxy)ethane

C5H9F3O2 — CID 87162422

IUPAC1-ethoxy-2-(trifluoromethoxy)ethane
SMILESCCOCCOC(F)(F)F
InChIInChI=1S/C5H9F3O2/c1-2-9-3-4-10-5(6,7)8/h2-4H2,1H3
InChIKeyXXFITPKQVRDZTA-UHFFFAOYSA-N
MW158.12 g/mol
LogP1.56
Rot. Bonds4

About 1-ethoxy-2-(trifluoromethoxy)ethane

1-ethoxy-2-(trifluoromethoxy)ethane (PubChem CID 87162422) has the molecular formula C5H9F3O2 and a molecular weight of 158.12 g/mol. Its IUPAC name is 1-ethoxy-2-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1-ethoxy-2-(trifluoromethoxy)ethane
PubChem CID87162422
Molecular FormulaC5H9F3O2
Molecular Weight158.12 g/mol
Exact Mass158.06
IUPAC Name1-ethoxy-2-(trifluoromethoxy)ethane
SMILESCCOCCOC(F)(F)F
InChIInChI=1S/C5H9F3O2/c1-2-9-3-4-10-5(6,7)8/h2-4H2,1H3
InChIKeyXXFITPKQVRDZTA-UHFFFAOYSA-N
XLogP1.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-ethoxy-2-(trifluoromethoxy)ethane?
The IUPAC name of 1-ethoxy-2-(trifluoromethoxy)ethane (CID 87162422) is 1-ethoxy-2-(trifluoromethoxy)ethane.
What is the SMILES notation for 1-ethoxy-2-(trifluoromethoxy)ethane?
The canonical SMILES for 1-ethoxy-2-(trifluoromethoxy)ethane is CCOCCOC(F)(F)F.
What is the InChIKey of 1-ethoxy-2-(trifluoromethoxy)ethane?
The InChIKey is XXFITPKQVRDZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O2/c1-2-9-3-4-10-5(6,7)8/h2-4H2,1H3.
What are the key properties of 1-ethoxy-2-(trifluoromethoxy)ethane?
1-ethoxy-2-(trifluoromethoxy)ethane has a molecular weight of 158.12 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(trifluoromethoxy)ethane is sourced from PubChem (CID 87162422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).