1,2,2-trifluoro-1-(1,1,2-trifluoroethoxy)ethanol

C4H4F6O2 — CID 173394609

IUPAC1,2,2-trifluoro-1-(1,1,2-trifluoroethoxy)ethanol
SMILESOC(F)(OC(F)(F)CF)C(F)F
InChIInChI=1S/C4H4F6O2/c5-1-3(8,9)12-4(10,11)2(6)7/h2,11H,1H2
InChIKeyPGDKHMPMUXZMFJ-UHFFFAOYSA-N
MW198.06 g/mol
LogP1.45
Rot. Bonds4

About 1,2,2-trifluoro-1-(1,1,2-trifluoroethoxy)ethanol

1,2,2-trifluoro-1-(1,1,2-trifluoroethoxy)ethanol (PubChem CID 173394609) has the molecular formula C4H4F6O2 and a molecular weight of 198.06 g/mol. Its IUPAC name is 1,2,2-trifluoro-1-(1,1,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name1,2,2-trifluoro-1-(1,1,2-trifluoroethoxy)ethanol
PubChem CID173394609
Molecular FormulaC4H4F6O2
Molecular Weight198.06 g/mol
Exact Mass198.01
IUPAC Name1,2,2-trifluoro-1-(1,1,2-trifluoroethoxy)ethanol
SMILESOC(F)(OC(F)(F)CF)C(F)F
InChIInChI=1S/C4H4F6O2/c5-1-3(8,9)12-4(10,11)2(6)7/h2,11H,1H2
InChIKeyPGDKHMPMUXZMFJ-UHFFFAOYSA-N
XLogP1.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.06
LogP ≤ 51.45
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 1,2,2-trifluoro-1-(1,1,2-trifluoroethoxy)ethanol?
The IUPAC name of 1,2,2-trifluoro-1-(1,1,2-trifluoroethoxy)ethanol (CID 173394609) is 1,2,2-trifluoro-1-(1,1,2-trifluoroethoxy)ethanol.
What is the SMILES notation for 1,2,2-trifluoro-1-(1,1,2-trifluoroethoxy)ethanol?
The canonical SMILES for 1,2,2-trifluoro-1-(1,1,2-trifluoroethoxy)ethanol is OC(F)(OC(F)(F)CF)C(F)F.
What is the InChIKey of 1,2,2-trifluoro-1-(1,1,2-trifluoroethoxy)ethanol?
The InChIKey is PGDKHMPMUXZMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O2/c5-1-3(8,9)12-4(10,11)2(6)7/h2,11H,1H2.
What are the key properties of 1,2,2-trifluoro-1-(1,1,2-trifluoroethoxy)ethanol?
1,2,2-trifluoro-1-(1,1,2-trifluoroethoxy)ethanol has a molecular weight of 198.06 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-1-(1,1,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 173394609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).