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

C3HF7O2 — CID 87390497

IUPAC1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanol
SMILESOC(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O2/c4-1(5,6)2(7,11)12-3(8,9)10/h11H
InChIKeySSZZRJBZYNMSOT-UHFFFAOYSA-N
MW202.03 g/mol
LogP1.70
Rot. Bonds1

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

1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanol (PubChem CID 87390497) has the molecular formula C3HF7O2 and a molecular weight of 202.03 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanol.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanol
PubChem CID87390497
Molecular FormulaC3HF7O2
Molecular Weight202.03 g/mol
Exact Mass201.99
IUPAC Name1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanol
SMILESOC(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O2/c4-1(5,6)2(7,11)12-3(8,9)10/h11H
InChIKeySSZZRJBZYNMSOT-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.03
LogP ≤ 51.70
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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Related Compounds

Perfluoro-methoxycarbinol
CID 23212817
[1,2,2,2-Tetrafluoro-1-(trifluoromethoxy)ethyl] hypofluorite
CID 19096951
1,2,2,2-Tetrafluoroethane-1,1-diol
CID 85640275
1,2,2,2-Tetrafluoro-1-(fluoromethoxy)ethanol
CID 88720808
(Z)-1-fluoro-2-(trifluoromethoxy)ethene-1,2-diol
CID 117811270
[Difluoro(hydroxy)methoxy]-difluoromethanol
CID 141374012
CID 101451276
CID 101451276
CID 102020669
CID 102020669

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanol?
The IUPAC name of 1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanol (CID 87390497) is 1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanol.
What is the SMILES notation for 1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanol?
The canonical SMILES for 1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanol is OC(F)(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanol?
The InChIKey is SSZZRJBZYNMSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7O2/c4-1(5,6)2(7,11)12-3(8,9)10/h11H.
What are the key properties of 1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanol?
1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethanol has a molecular weight of 202.03 g/mol, XLogP of 1.70, 1 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-(trifluoromethoxy)ethanol is sourced from PubChem (CID 87390497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).