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

C4H3F7O2 — CID 57236835

IUPAC1,2,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol
SMILESOC(F)(OCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F7O2/c5-2(6,7)1-13-4(11,12)3(8,9)10/h12H,1H2
InChIKeyIKNUPHUNTBZGSW-UHFFFAOYSA-N
MW216.05 g/mol
LogP1.74
Rot. Bonds2

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

1,2,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 57236835) has the molecular formula C4H3F7O2 and a molecular weight of 216.05 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol
PubChem CID57236835
Molecular FormulaC4H3F7O2
Molecular Weight216.05 g/mol
Exact Mass216.00
IUPAC Name1,2,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol
SMILESOC(F)(OCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F7O2/c5-2(6,7)1-13-4(11,12)3(8,9)10/h12H,1H2
InChIKeyIKNUPHUNTBZGSW-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.05
LogP ≤ 51.74
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 1,2,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of 1,2,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol (CID 57236835) is 1,2,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for 1,2,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for 1,2,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol is OC(F)(OCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is IKNUPHUNTBZGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7O2/c5-2(6,7)1-13-4(11,12)3(8,9)10/h12H,1H2.
What are the key properties of 1,2,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol?
1,2,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 216.05 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 57236835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).