2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-hexylacetamide

C12H14F9NO2 — CID 4985294

IUPAC2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-hexylacetamide
SMILESCCCCCCNC(=O)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H14F9NO2/c1-2-3-4-5-6-22-7(23)8(13,14)11(19)9(15,16)10(17,18)12(20,21)24-11/h2-6H2,1H3,(H,22,23)
InChIKeyARBNUJIVBYIRRM-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.88
Rot. Bonds7

About 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-hexylacetamide

2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-hexylacetamide (PubChem CID 4985294) has the molecular formula C12H14F9NO2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-hexylacetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-hexylacetamide
PubChem CID4985294
Molecular FormulaC12H14F9NO2
Molecular Weight375.23 g/mol
Exact Mass375.09
IUPAC Name2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-hexylacetamide
SMILESCCCCCCNC(=O)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H14F9NO2/c1-2-3-4-5-6-22-7(23)8(13,14)11(19)9(15,16)10(17,18)12(20,21)24-11/h2-6H2,1H3,(H,22,23)
InChIKeyARBNUJIVBYIRRM-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-hexylacetamide?
The IUPAC name of 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-hexylacetamide (CID 4985294) is 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-hexylacetamide.
What is the SMILES notation for 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-hexylacetamide?
The canonical SMILES for 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-hexylacetamide is CCCCCCNC(=O)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)-N-hexylacetamide?
The InChIKey is ARBNUJIVBYIRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F9NO2/c1-2-3-4-5-6-22-7(23)8(13,14)11(19)9(15,16)10(17,18)12(20,21)24-11/h2-6H2,1H3,(H,22,23).
What are the key properties of 2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-hexylacetamide?
2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)-N-hexylacetamide has a molecular weight of 375.23 g/mol, XLogP of 3.88, 7 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)-N-hexylacetamide is sourced from PubChem (CID 4985294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).