fluoro(1,1,2,2-tetrafluoroethoxy)methanol

C3H3F5O2 — CID 173425084

IUPACfluoro(1,1,2,2-tetrafluoroethoxy)methanol
SMILESOC(F)OC(F)(F)C(F)F
InChIInChI=1S/C3H3F5O2/c4-1(5)3(7,8)10-2(6)9/h1-2,9H
InChIKeyGJJLEAZOYJKJDK-UHFFFAOYSA-N
MW166.05 g/mol
LogP1.11
Rot. Bonds3

About fluoro(1,1,2,2-tetrafluoroethoxy)methanol

fluoro(1,1,2,2-tetrafluoroethoxy)methanol (PubChem CID 173425084) has the molecular formula C3H3F5O2 and a molecular weight of 166.05 g/mol. Its IUPAC name is fluoro(1,1,2,2-tetrafluoroethoxy)methanol.

Molecular Properties

Compound Namefluoro(1,1,2,2-tetrafluoroethoxy)methanol
PubChem CID173425084
Molecular FormulaC3H3F5O2
Molecular Weight166.05 g/mol
Exact Mass166.01
IUPAC Namefluoro(1,1,2,2-tetrafluoroethoxy)methanol
SMILESOC(F)OC(F)(F)C(F)F
InChIInChI=1S/C3H3F5O2/c4-1(5)3(7,8)10-2(6)9/h1-2,9H
InChIKeyGJJLEAZOYJKJDK-UHFFFAOYSA-N
XLogP1.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.05
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Difluoro(2,2,2-trifluoroethoxy)methanol
CID 54080608
2,2,2-Trifluoroethoxymethanol
CID 54216280
Difluoro(1,1,2,2-tetrafluoroethoxy)methanol
CID 54477328
CF3CH(OH)Ocf3
CID 57091037
2,2-Difluoroethoxymethanol
CID 57968354
2,2,2-Trifluoroethoxymethanediol
CID 87197703
1,1,2,2,2-Pentafluoroethoxymethanol
CID 87205882
1,1,2,2-Tetrafluoroethoxymethanol
CID 90714832
Fluoromethanol;1,1,1,2,2-pentafluoro-2-(1,1,2-trifluoroethoxymethoxy)ethane
CID 91353086
1-(Difluoromethoxy)-2,2,2-trifluoroethanol
CID 91517006
2,2-Difluoroethoxymethanediol
CID 166826633
1-[Difluoro(hydroxy)methoxy]-2,2,2-trifluoroethanol
CID 166940624

Frequently Asked Questions

What is the IUPAC name of fluoro(1,1,2,2-tetrafluoroethoxy)methanol?
The IUPAC name of fluoro(1,1,2,2-tetrafluoroethoxy)methanol (CID 173425084) is fluoro(1,1,2,2-tetrafluoroethoxy)methanol.
What is the SMILES notation for fluoro(1,1,2,2-tetrafluoroethoxy)methanol?
The canonical SMILES for fluoro(1,1,2,2-tetrafluoroethoxy)methanol is OC(F)OC(F)(F)C(F)F.
What is the InChIKey of fluoro(1,1,2,2-tetrafluoroethoxy)methanol?
The InChIKey is GJJLEAZOYJKJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O2/c4-1(5)3(7,8)10-2(6)9/h1-2,9H.
What are the key properties of fluoro(1,1,2,2-tetrafluoroethoxy)methanol?
fluoro(1,1,2,2-tetrafluoroethoxy)methanol has a molecular weight of 166.05 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(1,1,2,2-tetrafluoroethoxy)methanol is sourced from PubChem (CID 173425084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).