2-(Tert-butyl)-1,3-difluorobenzene
Basic information
- CAS
104359-36-6- Standard SMILES
CC(C)(C)c1c(F)cccc1F- InChIKey
YQJXBCTUBUMOFH-UHFFFAOYSA-N- Molecular formula
- C10H12F2
- Average molar mass
- 170.2 g/mol
- Monoisotopic mass
- 170.09070671
Names & identifiers
- Preferred name
- 2-(Tert-butyl)-1,3-difluorobenzene
- IUPAC
- 2-tert-butyl-1,3-difluorobenzene
Names & synonyms
2-(tert-butyl)-1,3-difluorobenzene104359-36-6SCHEMBL79047SCHEMBL199721742-tert-butyl-1,3-difluorobenzeneDTXSID901273396MFCD28465691SY5324562-(1,1-Dimethylethyl)-1,3-difluorobenzeneI80639
Database identifiers
- CAS
104359-36-6- PubChem CID
- 22975205
- DTXSID
DTXSID901273396
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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