2,2,2-trifluoro-1-(2,2,3,3,3-pentafluoropropoxy)ethanol

C5H4F8O2 — CID 23200488

IUPAC2,2,2-trifluoro-1-(2,2,3,3,3-pentafluoropropoxy)ethanol
SMILESOC(OCC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F8O2/c6-3(7,5(11,12)13)1-15-2(14)4(8,9)10/h2,14H,1H2
InChIKeyXXSDXVVOKDEQPK-UHFFFAOYSA-N
MW248.07 g/mol
LogP2.08
Rot. Bonds3

About 2,2,2-trifluoro-1-(2,2,3,3,3-pentafluoropropoxy)ethanol

2,2,2-trifluoro-1-(2,2,3,3,3-pentafluoropropoxy)ethanol (PubChem CID 23200488) has the molecular formula C5H4F8O2 and a molecular weight of 248.07 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2,2,3,3,3-pentafluoropropoxy)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2,2,3,3,3-pentafluoropropoxy)ethanol
PubChem CID23200488
Molecular FormulaC5H4F8O2
Molecular Weight248.07 g/mol
Exact Mass248.01
IUPAC Name2,2,2-trifluoro-1-(2,2,3,3,3-pentafluoropropoxy)ethanol
SMILESOC(OCC(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F8O2/c6-3(7,5(11,12)13)1-15-2(14)4(8,9)10/h2,14H,1H2
InChIKeyXXSDXVVOKDEQPK-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2,2,3,3,3-pentafluoropropoxy)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2,2,3,3,3-pentafluoropropoxy)ethanol (CID 23200488) is 2,2,2-trifluoro-1-(2,2,3,3,3-pentafluoropropoxy)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2,2,3,3,3-pentafluoropropoxy)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2,2,3,3,3-pentafluoropropoxy)ethanol is OC(OCC(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2,2,3,3,3-pentafluoropropoxy)ethanol?
The InChIKey is XXSDXVVOKDEQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O2/c6-3(7,5(11,12)13)1-15-2(14)4(8,9)10/h2,14H,1H2.
What are the key properties of 2,2,2-trifluoro-1-(2,2,3,3,3-pentafluoropropoxy)ethanol?
2,2,2-trifluoro-1-(2,2,3,3,3-pentafluoropropoxy)ethanol has a molecular weight of 248.07 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2,2,3,3,3-pentafluoropropoxy)ethanol is sourced from PubChem (CID 23200488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).