2,2,3,3,4,4,4-Heptafluoro-N-(2-phenylethyl)butanamide
Basic information
- CAS
29723-29-3- Standard SMILES
O=C(NCCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
GLZLEBAUVDLNEX-UHFFFAOYSA-N- Molecular formula
- C12H10F7NO
- Average molar mass
- 317.2 g/mol
- Monoisotopic mass
- 317.06506108
Names & identifiers
- Preferred name
- 2,2,3,3,4,4,4-Heptafluoro-N-(2-phenylethyl)butanamide
- IUPAC
- 2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)butanamide
- English name
- 2,2,3,3,4,4,4-Heptafluoro-N-(2-phenylethyl)butanamide
- Molecular formula
- C12H10F7NO
- Molecular weight
- 317.2
Names & synonyms
2,2,3,3,4,4,4-Heptafluoro-N-(2-phenylethyl)butanamide29723-29-32-Phenylethylamine, HFBButyramide, 2,2,3,3,4,4,4-heptafluoro-N-phenethyl-SCHEMBL11779615DTXSID30340966Butanamide, 2,2,3,3,4,4,4-heptafluoro-N-(2-phenylethyl)-n-Heptafluorobutyryl-phenylethylamineSTK448163AKOS003243699NS00109848ST50908125
Database identifiers
- CAS
29723-29-3- PubChem CID
- 568862
- DTXSID
DTXSID30340966- Nikkaji
- J108.464J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Melting point
- 52 · 52-53 °C
- Boiling point
- 307.4 · 307.4±42.0 °C(Predicted)
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- pka
- 11.22 · 11.22±0.46(Predicted)
- EPA Substance Registry System
- 2 · 2,2,3,3,4,4,4-Heptafluoro-N-(2-phenylethyl)butanamide (29723-29-3)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…