2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol

C12H10F7NO2 — CID 54218345

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol
SMILESOC1CC(c2ccccc2)N(C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C12H10F7NO2/c13-10(14,11(15,16)17)12(18,19)20-8(6-9(21)22-20)7-4-2-1-3-5-7/h1-5,8-9,21H,6H2
InChIKeyQATKQVKQIPQAQG-UHFFFAOYSA-N
MW333.20 g/mol
LogP3.47
Rot. Bonds3

About 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol

2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol (PubChem CID 54218345) has the molecular formula C12H10F7NO2 and a molecular weight of 333.20 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol
PubChem CID54218345
Molecular FormulaC12H10F7NO2
Molecular Weight333.20 g/mol
Exact Mass333.06
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol
SMILESOC1CC(c2ccccc2)N(C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C12H10F7NO2/c13-10(14,11(15,16)17)12(18,19)20-8(6-9(21)22-20)7-4-2-1-3-5-7/h1-5,8-9,21H,6H2
InChIKeyQATKQVKQIPQAQG-UHFFFAOYSA-N
XLogP3.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol (CID 54218345) is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol is OC1CC(c2ccccc2)N(C(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol?
The InChIKey is QATKQVKQIPQAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F7NO2/c13-10(14,11(15,16)17)12(18,19)20-8(6-9(21)22-20)7-4-2-1-3-5-7/h1-5,8-9,21H,6H2.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol?
2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol has a molecular weight of 333.20 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazolidin-5-ol is sourced from PubChem (CID 54218345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).