Basic information
- CAS
832722-35-7- Standard SMILES
C=CC(NCc1ccccc1)C(F)(F)F- InChIKey
NPWVCBUMBXCWPG-UHFFFAOYSA-N- Molecular formula
- C11H12F3N
- Average molar mass
- 215.21 g/mol
- Monoisotopic mass
- 215.09218387
Names & identifiers
- Preferred name
- Benzenemethanamine, N-[1-(trifluoromethyl)-2-propenyl]-
- IUPAC
- N-benzyl-1,1,1-trifluorobut-3-en-2-amine
Names & synonyms
Benzenemethanamine, N-[1-(trifluoromethyl)-2-propenyl]-832722-35-7N-benzyl-1,1,1-trifluorobut-3-en-2-amineDTXSID20463012NPWVCBUMBXCWPG-UHFFFAOYSA-NAKOS015963729
Database identifiers
- CAS
832722-35-7- PubChem CID
- 11344934
- DTXSID
DTXSID20463012
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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