1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol

C5H4F8O2 — CID 89282246

IUPAC1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol
SMILESCC(F)(OC(F)(F)C(O)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F8O2/c1-2(6,3(7,8)9)15-5(12,13)4(10,11)14/h14H,1H3
InChIKeyFYPZZLXISDCDBX-UHFFFAOYSA-N
MW248.07 g/mol
LogP2.43
Rot. Bonds3

About 1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol

1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol (PubChem CID 89282246) has the molecular formula C5H4F8O2 and a molecular weight of 248.07 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol
PubChem CID89282246
Molecular FormulaC5H4F8O2
Molecular Weight248.07 g/mol
Exact Mass248.01
IUPAC Name1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol
SMILESCC(F)(OC(F)(F)C(O)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F8O2/c1-2(6,3(7,8)9)15-5(12,13)4(10,11)14/h14H,1H3
InChIKeyFYPZZLXISDCDBX-UHFFFAOYSA-N
XLogP2.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 59685373
1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 90334352
ethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol
CID 170615010
2-(2,2-difluoroethenoxy)-1,1,1,2-tetrafluoropropane
CID 59078965
1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethanol
CID 87175870
1,1,1-trifluoro-2,2-dimethylpropane;2,3,3-trimethylbutan-2-ol
CID 167694152
2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-1,1,2,2-tetrafluoroethanol
CID 58913824
1,1,3,3,3-pentafluoro-2,2-dimethylpropan-1-ol;rutherfordium
CID 59895744
1,1,2,2-tetrafluoro-2-[1,1,2-trifluoro-1-[1,1,2-trifluoro-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxypropan-2-yl]oxyethanesulfonic acid
CID 22568757
1,2,2-trifluoro-1,2-dimethoxyethanol
CID 148598336
1,1,2-trifluoro-2-methyl-1-(1,1,2-trifluoro-2-methylpropoxy)propane
CID 87276476
1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane
CID 173336880

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol (CID 89282246) is 1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol is CC(F)(OC(F)(F)C(O)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol?
The InChIKey is FYPZZLXISDCDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O2/c1-2(6,3(7,8)9)15-5(12,13)4(10,11)14/h14H,1H3.
What are the key properties of 1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol?
1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol has a molecular weight of 248.07 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(1,1,1,2-tetrafluoropropan-2-yloxy)ethanol is sourced from PubChem (CID 89282246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).