Heptafluorobutyranilide
Basic information
- CAS
336-61-8- Standard SMILES
O=C(Nc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
AFGARRAOIQHNDW-UHFFFAOYSA-N- Molecular formula
- C10H6F7NO
- Average molar mass
- 289.15 g/mol
- Monoisotopic mass
- 289.03376095
Names & identifiers
- Preferred name
- Heptafluorobutyranilide
- IUPAC
- 2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
- English name
- Heptafluorobutyranilide
- Molecular formula
- C10H6F7NO
- Molecular weight
- 289.15
Names & synonyms
Heptafluorobutyranilide336-61-8AI 3-18011FH26UK9AJKButyranilide, 2,2,3,3,4,4,4-heptafluoro-NSC-404378Butanamide, 2,2,3,3,4,4,4-heptafluoro-N-phenyl-alpha,alpha,beta,beta,gamma,gamma,gamma-HeptafluorobutyranilideBUTYRANILIDE, alpha,alpha,beta,beta,gamma,gamma,gamma-HEPTAFLUORO-DTXSID50187299RefChem:1086422DTXCID10109790
Show more names
NSC-404372,2,3,3,4,4,4-Heptafluoro-butyranilideN-Phenyl-2,2,3,3,4,4,4-heptafluorobutanamide2,2,3,3,4,4,4-Heptafluoro-N-phenyl-butanamide
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamideAI3-18011NSC 404378BRN 2751596NSC404378starbld0007507UNII-FH26UK9AJKWLN: FXFFXFFXFFVMR
Database identifiers
- CAS
336-61-8- PubChem CID
- 9556
- DTXSID
DTXSID50187299- UNII
- FH26UK9AJK
- Nikkaji
- J55.500B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- FDA UNII
- 26 UK9AJK · FH26UK9AJK
- EPA Substance Registry System
- 3 · AI 3-18011 (336-61-8)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Applications
UsesHeptafluorobutyranilide (cas# 336-61-8) is a compound useful in organic synthesis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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