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

C3H2F6O2 — CID 54477328

IUPACdifluoro(1,1,2,2-tetrafluoroethoxy)methanol
SMILESOC(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C3H2F6O2/c4-1(5)2(6,7)11-3(8,9)10/h1,10H
InChIKeyWHNYMBWISYSXBI-UHFFFAOYSA-N
MW184.04 g/mol
LogP1.40
Rot. Bonds3

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

difluoro(1,1,2,2-tetrafluoroethoxy)methanol (PubChem CID 54477328) has the molecular formula C3H2F6O2 and a molecular weight of 184.04 g/mol. Its IUPAC name is difluoro(1,1,2,2-tetrafluoroethoxy)methanol.

Molecular Properties

Compound Namedifluoro(1,1,2,2-tetrafluoroethoxy)methanol
PubChem CID54477328
Molecular FormulaC3H2F6O2
Molecular Weight184.04 g/mol
Exact Mass184.00
IUPAC Namedifluoro(1,1,2,2-tetrafluoroethoxy)methanol
SMILESOC(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C3H2F6O2/c4-1(5)2(6,7)11-3(8,9)10/h1,10H
InChIKeyWHNYMBWISYSXBI-UHFFFAOYSA-N
XLogP1.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Difluoro(2,2,2-trifluoroethoxy)methanol
CID 54080608
2,2-Difluoroethoxy(difluoro)methanol
CID 57086823
1,1,2-Trifluoroethyl hydrogen carbonate
CID 87451899
1,2,2,2-Tetrafluoro-1-(fluoromethoxy)ethanol
CID 88720808
1,2,2-Trifluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanol
CID 123290710
1-Fluoro-1-(trifluoromethoxy)ethanol
CID 173372394
1,2,2-Trifluoro-1-(1,1,2-trifluoroethoxy)ethanol
CID 173394609
Fluoro(1,1,2,2-tetrafluoroethoxy)methanol
CID 173425084
1,2-Difluoro-1-(1,1,2,2,2-pentafluoroethoxy)ethanol
CID 174429370
1,1,2,2-Tetrafluoroethyl hydrogen carbonate
CID 175341270
1-[Difluoro(hydroxy)methoxy]-1-fluoroethanol
CID 164006676
CID 101451276
CID 101451276

Frequently Asked Questions

What is the IUPAC name of difluoro(1,1,2,2-tetrafluoroethoxy)methanol?
The IUPAC name of difluoro(1,1,2,2-tetrafluoroethoxy)methanol (CID 54477328) is difluoro(1,1,2,2-tetrafluoroethoxy)methanol.
What is the SMILES notation for difluoro(1,1,2,2-tetrafluoroethoxy)methanol?
The canonical SMILES for difluoro(1,1,2,2-tetrafluoroethoxy)methanol is OC(F)(F)OC(F)(F)C(F)F.
What is the InChIKey of difluoro(1,1,2,2-tetrafluoroethoxy)methanol?
The InChIKey is WHNYMBWISYSXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O2/c4-1(5)2(6,7)11-3(8,9)10/h1,10H.
What are the key properties of difluoro(1,1,2,2-tetrafluoroethoxy)methanol?
difluoro(1,1,2,2-tetrafluoroethoxy)methanol has a molecular weight of 184.04 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(1,1,2,2-tetrafluoroethoxy)methanol is sourced from PubChem (CID 54477328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).