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

C4H4F6O3 — CID 71368176

IUPAC2,2,2-trifluoro-1-(2,2,2-trifluoro-1-hydroxyethoxy)ethanol
SMILESOC(OC(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10/h1-2,11-12H
InChIKeyQZGWRUDJKUDYAC-UHFFFAOYSA-N
MW214.06 g/mol
LogP0.76
Rot. Bonds2

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

2,2,2-trifluoro-1-(2,2,2-trifluoro-1-hydroxyethoxy)ethanol (PubChem CID 71368176) has the molecular formula C4H4F6O3 and a molecular weight of 214.06 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2,2,2-trifluoro-1-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2,2,2-trifluoro-1-hydroxyethoxy)ethanol
PubChem CID71368176
Molecular FormulaC4H4F6O3
Molecular Weight214.06 g/mol
Exact Mass214.01
IUPAC Name2,2,2-trifluoro-1-(2,2,2-trifluoro-1-hydroxyethoxy)ethanol
SMILESOC(OC(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10/h1-2,11-12H
InChIKeyQZGWRUDJKUDYAC-UHFFFAOYSA-N
XLogP0.76
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,2,2-trifluoro-1-(2,2,2-trifluoro-1-hydroxyethoxy)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2,2,2-trifluoro-1-hydroxyethoxy)ethanol (CID 71368176) is 2,2,2-trifluoro-1-(2,2,2-trifluoro-1-hydroxyethoxy)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2,2,2-trifluoro-1-hydroxyethoxy)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2,2,2-trifluoro-1-hydroxyethoxy)ethanol is OC(OC(O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2,2,2-trifluoro-1-hydroxyethoxy)ethanol?
The InChIKey is QZGWRUDJKUDYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10/h1-2,11-12H.
What are the key properties of 2,2,2-trifluoro-1-(2,2,2-trifluoro-1-hydroxyethoxy)ethanol?
2,2,2-trifluoro-1-(2,2,2-trifluoro-1-hydroxyethoxy)ethanol has a molecular weight of 214.06 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2,2,2-trifluoro-1-hydroxyethoxy)ethanol is sourced from PubChem (CID 71368176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).