1-Fluoro-2,3-diisopropylbenzene
Basic information
- CAS
87591-02-4- Standard SMILES
CC(C)c1cccc(F)c1C(C)C- InChIKey
XRRTZGNPIHXBAN-UHFFFAOYSA-N- Molecular formula
- C12H17F
- Average molar mass
- 180.26 g/mol
- Monoisotopic mass
- 180.1314287
Names & identifiers
- Preferred name
- 1-Fluoro-2,3-diisopropylbenzene
- IUPAC
- 1-fluoro-2,3-di(propan-2-yl)benzene
Names & synonyms
1-Fluoro-2,3-diisopropylbenzeneSCHEMBL2138025SCHEMBL2138031SCHEMBL12197665DTXSID4012834851-fluoro-2,3-di(propan-2-yl)benzene1-Fluoro-2,3-bis(1-methylethyl)benzene87591-02-4
Database identifiers
- CAS
87591-02-4- PubChem CID
- 20709367
- DTXSID
DTXSID401283485
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
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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