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

C3H2F6O2 — CID 57091037

IUPAC2,2,2-trifluoro-1-(trifluoromethoxy)ethanol
SMILESOC(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O2/c4-2(5,6)1(10)11-3(7,8)9/h1,10H
InChIKeyABINXCIRMAAARW-UHFFFAOYSA-N
MW184.04 g/mol
LogP1.40
Rot. Bonds1

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

2,2,2-trifluoro-1-(trifluoromethoxy)ethanol (PubChem CID 57091037) has the molecular formula C3H2F6O2 and a molecular weight of 184.04 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(trifluoromethoxy)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(trifluoromethoxy)ethanol
PubChem CID57091037
Molecular FormulaC3H2F6O2
Molecular Weight184.04 g/mol
Exact Mass184.00
IUPAC Name2,2,2-trifluoro-1-(trifluoromethoxy)ethanol
SMILESOC(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O2/c4-2(5,6)1(10)11-3(7,8)9/h1,10H
InChIKeyABINXCIRMAAARW-UHFFFAOYSA-N
XLogP1.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.04
LogP ≤ 51.40
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 2,2,2-trifluoro-1-(trifluoromethoxy)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(trifluoromethoxy)ethanol (CID 57091037) is 2,2,2-trifluoro-1-(trifluoromethoxy)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(trifluoromethoxy)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(trifluoromethoxy)ethanol is OC(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(trifluoromethoxy)ethanol?
The InChIKey is ABINXCIRMAAARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O2/c4-2(5,6)1(10)11-3(7,8)9/h1,10H.
What are the key properties of 2,2,2-trifluoro-1-(trifluoromethoxy)ethanol?
2,2,2-trifluoro-1-(trifluoromethoxy)ethanol has a molecular weight of 184.04 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(trifluoromethoxy)ethanol is sourced from PubChem (CID 57091037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).