1-Fluoro-3,5-di(propan-2-yl)benzene
Basic information
- CAS
87591-04-6- Standard SMILES
CC(C)c1cc(F)cc(C(C)C)c1- InChIKey
JDYQVVGYBPLXBE-UHFFFAOYSA-N- Molecular formula
- C12H17F
- Average molar mass
- 180.26 g/mol
- Monoisotopic mass
- 180.1314287
Names & identifiers
- Preferred name
- 1-Fluoro-3,5-di(propan-2-yl)benzene
- IUPAC
- 1-fluoro-3,5-di(propan-2-yl)benzene
Names & synonyms
1-FLUORO-3,5-DIISOPROPYLBENZENE1-Fluoro-3,5-di(propan-2-yl)benzene87591-04-6SCHEMBL7618662SCHEMBL12248241SCHEMBL27507940DTXSID90709015
Database identifiers
- CAS
87591-04-6- PubChem CID
- 54098005
- DTXSID
DTXSID90709015
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 135
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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