4-(2,2,2-Trifluoroethyl)pyridine
Basic information
- CAS
1099598-10-3- Standard SMILES
FC(F)(F)Cc1ccncc1- InChIKey
DBSQQZWLFKXCRU-UHFFFAOYSA-N- Molecular formula
- C7H6F3N
- Average molar mass
- 161.12 g/mol
- Monoisotopic mass
- 161.04523368
Names & identifiers
- Preferred name
- 4-(2,2,2-Trifluoroethyl)pyridine
- IUPAC
- 4-(2,2,2-trifluoroethyl)pyridine
Names & synonyms
4-(2,2,2-TRIFLUOROETHYL)PYRIDINE1099598-10-3SCHEMBL5011652SCHEMBL6309146SCHEMBL6309152SCHEMBL7469792DBSQQZWLFKXCRU-UHFFFAOYSA-NDTXSID901302119AKOS005255520
Database identifiers
- CAS
1099598-10-3- PubChem CID
- 37859554
- DTXSID
DTXSID901302119
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 115
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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