7-methoxy-2-(pentafluoroethyl)-4H-chromen-4-one
Basic information
- CAS
381697-82-1- Standard SMILES
COc1ccc2c(=O)cc(C(F)(F)C(F)(F)F)oc2c1- InChIKey
NUVXTYZBQVJDQJ-UHFFFAOYSA-N- Molecular formula
- C12H7F5O3
- Average molar mass
- 294.17 g/mol
- Monoisotopic mass
- 294.03153489
Names & identifiers
- Preferred name
- 7-methoxy-2-(pentafluoroethyl)-4H-chromen-4-one
- IUPAC
- 7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)chromen-4-one
Names & synonyms
381697-82-17-methoxy-2-(pentafluoroethyl)-4H-chromen-4-one7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)chromen-4-oneMLS000112899CHEMBL1441320DTXSID401348261HMS2495E12STK806385AKOS005608134SMR0001088077-methoxy-2-(perfluoroethyl)-4H-chromen-4-oneSR-01000246341
Show more names
SR-01000246341-1
Database identifiers
- CAS
381697-82-1- PubChem CID
- 800341
- DTXSID
DTXSID401348261- ChEMBL
CHEMBL1441320
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 429
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Compound notes
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