Basic information
- CAS
489398-11-0- Standard SMILES
COc1cc(OC)c2c(N)c(C#N)c(C(F)(F)C(F)(F)F)nc2c1- InChIKey
VTLRJVJJWPDFOR-UHFFFAOYSA-N- Molecular formula
- C14H10F5N3O2
- Average molar mass
- 347.24 g/mol
- Monoisotopic mass
- 347.06931738
Names & identifiers
- Preferred name
- 4-Amino-5,7-dimethoxy-2-pentafluoroethyl-quinoline-3-carbonitrile
- IUPAC
- 4-amino-5,7-dimethoxy-2-(1,1,2,2,2-pentafluoroethyl)quinoline-3-carbonitrile
Names & synonyms
MLS0005556234-Amino-5,7-dimethoxy-2-pentafluoroethyl-quinoline-3-carbonitrileSMR000147340489398-11-0CHEMBL1331855BDBM32706cid_3697967DTXSID301348337HMS2321N05STK548559AKOS0054762704-amino-5,7-dimethoxy-2-(1,1,2,2,2-pentafluoroethyl)quinoline-3-carbonitrile
Show more names
4-amino-5,7-dimethoxy-2-(pentafluoroethyl)quinoline-3-carbonitrile4-amino-5,7-dimethoxy-2-(perfluoroethyl)quinoline-3-carbonitrile4-amino-5,7-dimethoxy-2-(1,1,2,2,2-pentafluoroethyl)-3-quinolinecarbonitrile4-azanyl-5,7-dimethoxy-2-[1,1,2,2,2-pentakis(fluoranyl)ethyl]quinoline-3-carbonitrile
Database identifiers
- CAS
489398-11-0- PubChem CID
- 3697967
- DTXSID
DTXSID301348337- ChEMBL
CHEMBL1331855
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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