m-(N,N,N-Trimethylammonio)trifluoroacetophenone
Basic information
- CAS
156781-80-5- Standard SMILES
C[N+](C)(C)c1cccc(C(=O)C(F)(F)F)c1- InChIKey
JIBZSTPMDKSJOX-UHFFFAOYSA-N- Molecular formula
- C11H13F3NO+
- Average molar mass
- 232.22 g/mol
- Monoisotopic mass
- 232.09492352
Overview
structure in first source
Names & identifiers
- Preferred name
- m-(N,N,N-Trimethylammonio)trifluoroacetophenone
- IUPAC
- trimethyl-[3-(2,2,2-trifluoroacetyl)phenyl]azanium
Names & synonyms
m-(N,N,N-trimethylammonio)trifluoroacetophenoneN,N,N-TMTFARefChem:925106tmtfaTfk+156781-80-5Z3M6Q7J3MZN,N,N-trimethyl-3-(2,2,2-trifluoroacetyl)benzenaminiumUNII-Z3M6Q7J3MZBenzenaminium, N,N,N-trimethyl-3-(trifluoroacetyl)-CHEMBL525622Benzenaminium, N,N,N-trimethyl-3-(2,2,2-trifluoroacetyl)-
Show more names
3-(Trifluoroacetyl)phenyltrimethylaminiumSCHEMBL7649890DTXSID20274468JIBZSTPMDKSJOX-UHFFFAOYSA-NBDBM50271556AB11046PD195041N,N,N-trimethyl-3-(trifluoroacetyl)anilinium
Database identifiers
- CAS
156781-80-5- PubChem CID
- 5492
- DTXSID
DTXSID20274468- ChEMBL
CHEMBL525622- UNII
- Z3M6Q7J3MZ
- Nikkaji
- J743.382D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 267
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…