N-[2-(3,4-Dimethoxyphenyl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
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Basic information
- CAS
13230-87-0- Standard SMILES
COc1ccc(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1OC- InChIKey
VLLJJJGOUHIKJE-UHFFFAOYSA-N- Molecular formula
- C14H14F7NO3
- Average molar mass
- 377.25 g/mol
- Monoisotopic mass
- 377.08619044
Names & identifiers
- Preferred name
- N-[2-(3,4-Dimethoxyphenyl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
- IUPAC
- N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
- English name
- N-(3,4-Dimethoxyphenethyl)-2,2,3,3,4,4,4-heptafluorobutyramide
- Molecular formula
- C14H14F7NO3
- Molecular weight
- 377.25
Names & synonyms
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide13230-87-0N-(3,4-Dimethoxyphenethyl)-2,2,3,3,4,4,4-heptafluorobutyramideButyramide, N-(3,4-dimethoxyphenethyl)-2,2,3,3,4,4,4-heptafluoro-Heptafluorobutyramide, N-(3,4-dimethoxyphenethyl)-DTXSID70343774VLLJJJGOUHIKJE-UHFFFAOYSA-NSTK424913AKOS003286957NS00111213ST50927666AK-968/40605575
Show more names
Butanamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,3,3,4,4,4-heptafluoro-
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide #
Database identifiers
- CAS
13230-87-0- PubChem CID
- 592133
- DTXSID
DTXSID70343774- Nikkaji
- J146.251B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 456
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 2 · N-[2-(3,4-Dimethoxyphenyl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide (13230-87-0)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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