Basic information
- CAS
40999-34-6- Standard SMILES
CC(C)(C)C(=Nc1ccccc1)OC(c1ccccc1)(C(F)(F)F)C(F)(F)F- InChIKey
BTIVVNRBOJEOSO-UHFFFAOYSA-N- Molecular formula
- C20H19F6NO
- Average molar mass
- 403.4 g/mol
- Monoisotopic mass
- 403.1370832
Names & identifiers
- Preferred name
- 1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl (1E)-2,2-dimethyl-N-phenylpropanimidate
- IUPAC
- (1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) 2,2-dimethyl-N-phenylpropanimidate
Names & synonyms
40999-34-6NSC361404DTXSID70320560NSC-3614041,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-yl (1E)-2,2-dimethyl-N-phenylpropanimidatePropanimidic acid,?2,2-dimethyl-N-phenyl-, 2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl ester, (1E)-?
Database identifiers
- CAS
40999-34-6- PubChem CID
- 338484
- DTXSID
DTXSID70320560
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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