2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-phenylethanol

C12H7F9O2 — CID 2829294

IUPAC2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-phenylethanol
SMILESOC(c1ccccc1)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H7F9O2/c13-8(14,7(22)6-4-2-1-3-5-6)11(19)9(15,16)10(17,18)12(20,21)23-11/h1-5,7,22H
InChIKeyDCYBJXGGLMLHFT-UHFFFAOYSA-N
MW354.17 g/mol
LogP3.91
Rot. Bonds3

About 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-phenylethanol

2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-phenylethanol (PubChem CID 2829294) has the molecular formula C12H7F9O2 and a molecular weight of 354.17 g/mol. Its IUPAC name is 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-phenylethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-phenylethanol
PubChem CID2829294
Molecular FormulaC12H7F9O2
Molecular Weight354.17 g/mol
Exact Mass354.03
IUPAC Name2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-phenylethanol
SMILESOC(c1ccccc1)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H7F9O2/c13-8(14,7(22)6-4-2-1-3-5-6)11(19)9(15,16)10(17,18)12(20,21)23-11/h1-5,7,22H
InChIKeyDCYBJXGGLMLHFT-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-phenylethanol?
The IUPAC name of 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-phenylethanol (CID 2829294) is 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-phenylethanol.
What is the SMILES notation for 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-phenylethanol?
The canonical SMILES for 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-phenylethanol is OC(c1ccccc1)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-phenylethanol?
The InChIKey is DCYBJXGGLMLHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F9O2/c13-8(14,7(22)6-4-2-1-3-5-6)11(19)9(15,16)10(17,18)12(20,21)23-11/h1-5,7,22H.
What are the key properties of 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-phenylethanol?
2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-phenylethanol has a molecular weight of 354.17 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-1-phenylethanol is sourced from PubChem (CID 2829294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).