1-ethoxy-2,2,2-trifluoroethanol

C4H7F3O2 — CID 9897

IUPAC1-ethoxy-2,2,2-trifluoroethanol
SMILESCCOC(O)C(F)(F)F
InChIInChI=1S/C4H7F3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3
InChIKeyKLXJPQNHFFMLIG-UHFFFAOYSA-N
MW144.09 g/mol
LogP0.90
Rot. Bonds2

About 1-ethoxy-2,2,2-trifluoroethanol

1-ethoxy-2,2,2-trifluoroethanol (PubChem CID 9897) has the molecular formula C4H7F3O2 and a molecular weight of 144.09 g/mol. Its IUPAC name is 1-ethoxy-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-ethoxy-2,2,2-trifluoroethanol
PubChem CID9897
Molecular FormulaC4H7F3O2
Molecular Weight144.09 g/mol
Exact Mass144.04
IUPAC Name1-ethoxy-2,2,2-trifluoroethanol
SMILESCCOC(O)C(F)(F)F
InChIInChI=1S/C4H7F3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3
InChIKeyKLXJPQNHFFMLIG-UHFFFAOYSA-N
XLogP0.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.09
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethoxy-2,2,2-trifluoroethanol?
The IUPAC name of 1-ethoxy-2,2,2-trifluoroethanol (CID 9897) is 1-ethoxy-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-ethoxy-2,2,2-trifluoroethanol?
The canonical SMILES for 1-ethoxy-2,2,2-trifluoroethanol is CCOC(O)C(F)(F)F.
What is the InChIKey of 1-ethoxy-2,2,2-trifluoroethanol?
The InChIKey is KLXJPQNHFFMLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3.
What are the key properties of 1-ethoxy-2,2,2-trifluoroethanol?
1-ethoxy-2,2,2-trifluoroethanol has a molecular weight of 144.09 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,2,2-trifluoroethanol is sourced from PubChem (CID 9897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).