1-Fluoro-4-(2,2,2-trifluoroethyl)benzene
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Basic information
- CAS
50561-99-4- Standard SMILES
Fc1ccc(CC(F)(F)F)cc1- InChIKey
MBWNJPQUMJMRPU-UHFFFAOYSA-N- Molecular formula
- C8H6F4
- Average molar mass
- 178.13 g/mol
- Monoisotopic mass
- 178.04056284
Names & identifiers
- Preferred name
- 1-Fluoro-4-(2,2,2-trifluoroethyl)benzene
- IUPAC
- 1-fluoro-4-(2,2,2-trifluoroethyl)benzene
- English name
- 1-FLUORO-4-(2,2,2-TRIFLUOROETHYL)BENZENE
- Molecular formula
- C8H6F4
- Molecular weight
- 178.13
Names & synonyms
1-fluoro-4-(2,2,2-trifluoroethyl)benzene50561-99-4MFCD11100173NSC142232SCHEMBL9954440SCHEMBL10248786DTXSID70964786MKCJHIDGAWDTOG-UHFFFAOYSA-NAKOS005255773FS-5491NSC-142232Benzene, 1-fluoro-4-(2,2,2-trifluoroethyl)
Show more names
Benzene, 1-fluoro-4-(2,2,2-trifluoroethyl)-
F037198
Database identifiers
- CAS
50561-99-4- PubChem CID
- 285369
- DTXSID
DTXSID70964786- Nikkaji
- J1.302.122H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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