Basic information
- CAS
63878-78-4- Standard SMILES
C#CCOc1ccc(C(F)(F)F)cc1- InChIKey
BRORDTRRXFYCDZ-UHFFFAOYSA-N- Molecular formula
- C10H7F3O
- Average molar mass
- 200.16 g/mol
- Monoisotopic mass
- 200.04489933
Names & identifiers
- Preferred name
- 3-(p-Trifluoromethylphenoxy)-1-propyne
- IUPAC
- 1-prop-2-ynoxy-4-(trifluoromethyl)benzene
Names & synonyms
63878-78-41-Proparagyloxy-4-trifluoromethylbenzene3-(p-trifluoromethylphenoxy)-1-propyne1-prop-2-ynoxy-4-(trifluoromethyl)benzene1-(prop-2-yn-1-yloxy)-4-(trifluoromethyl)benzeneMFCD09836693NSC298260SCHEMBL10572213DTXSID90315933AKOS005067629NSC-298260SY501638
Show more names
F802131-[(Prop-2-yn-1-yl)oxy]-4-(trifluoromethyl)benzene
Database identifiers
- CAS
63878-78-4- PubChem CID
- 326591
- DTXSID
DTXSID90315933
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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