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Molecule
2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-Hexafluoro-2-(1,1,2,2,3,3,3-Heptafluoropropoxy)Propoxy]Propanoyl Fluoride
CAS: 2641-34-1 · C9F18O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2641-34-1
- Molecular Formula
- C9F18O3
- Molecular Mass
- 498.06 g/mol
Identifiers
CAS Registry Number
2641-34-1
SMILES
O=C(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI Key
YSIGVPOSKQLNTO-UHFFFAOYSA-N
InChI
InChI=1S/C9F18O3/c10-1(28)2(11,5(15,16)17)29-9(26,27)4(14,7(21,22)23)30-8(24,25)3(12,13)6(18,19)20
Names and Synonyms
- 2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-Hexafluoro-2-(1,1,2,2,3,3,3-Heptafluoropropoxy)Propoxy]Propanoyl Fluoride Synonym
- Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]- Synonym
- Propionyl fluoride, tetrafluoro-2-[hexafluoro-2-(heptafluoropropoxy)propoxy]- Synonym
- Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]- Synonym
- Propionyl fluoride, 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]- Synonym
- 2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoyl fluoride Synonym
- Hexafluoropropene oxide trimer Synonym
- 2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(perfluoropropoxy)propoxy]propanoyl fluoride Synonym
- Perfluoro-2,5-dimethyl-3,6-dioxanonanoyl fluoride Synonym
- Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid fluoride Synonym
- Perfluoro-2,5-dimethyl-3,6-dioxa-nonanoic acid fluoride Synonym
- Cheminox PO 3AF Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 498.06 g/mol | CAS Common Chemistry |
| 498.05999999999995 g/mol | RDKit | |
| Canonical SMILES | O=C(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C9F18O3/c10-1(28)2(11,5(15,16)17)29-9(26,27)4(14,7(21,22)23)30-8(24,25)3(12,13)6(18,19)20 | CAS Common Chemistry |
| InChI Key | InChIKey=YSIGVPOSKQLNTO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoyl fluoride | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 5.355100000000001 | RDKit |
| 5.3551 | RDKit | |
| Molar Refractivity | 48.96899999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 497.95600182 g/mol | RDKit |
| Boiling Point | 114-116 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 498.06 g/mol. Edit any field — others recompute live.
