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

C3H3F5O2 — CID 88720808

IUPAC1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethanol
SMILESOC(F)(OCF)C(F)(F)F
InChIInChI=1S/C3H3F5O2/c4-1-10-3(8,9)2(5,6)7/h9H,1H2
InChIKeyORFVNIVGINOIGY-UHFFFAOYSA-N
MW166.04 g/mol
LogP1.11
Rot. Bonds2

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

1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethanol (PubChem CID 88720808) has the molecular formula C3H3F5O2 and a molecular weight of 166.04 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethanol.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethanol
PubChem CID88720808
Molecular FormulaC3H3F5O2
Molecular Weight166.04 g/mol
Exact Mass166.01
IUPAC Name1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethanol
SMILESOC(F)(OCF)C(F)(F)F
InChIInChI=1S/C3H3F5O2/c4-1-10-3(8,9)2(5,6)7/h9H,1H2
InChIKeyORFVNIVGINOIGY-UHFFFAOYSA-N
XLogP1.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.04
LogP ≤ 51.11
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

Difluoromethoxy(difluoro)methanol
CID 20030112
Difluoro(2,2,2-trifluoroethoxy)methanol
CID 54080608
Difluoro(1,1,2,2-tetrafluoroethoxy)methanol
CID 54477328
1,1,2,2,2-Pentafluoroethoxymethanol
CID 87205882
1,2,2,2-Tetrafluoro-1-(trifluoromethoxy)ethanol
CID 87390497
1,2,2,2-Tetrafluoro-1-methoxyethanol
CID 87391390
2,2,2-Trifluoro-1-methoxyethane-1,1-diol
CID 71363760
CID 101451276
CID 101451276
CID 101451279
CID 101451279

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethanol?
The IUPAC name of 1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethanol (CID 88720808) is 1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethanol.
What is the SMILES notation for 1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethanol?
The canonical SMILES for 1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethanol is OC(F)(OCF)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethanol?
The InChIKey is ORFVNIVGINOIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O2/c4-1-10-3(8,9)2(5,6)7/h9H,1H2.
What are the key properties of 1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethanol?
1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethanol has a molecular weight of 166.04 g/mol, XLogP of 1.11, 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-(fluoromethoxy)ethanol is sourced from PubChem (CID 88720808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).