Basic information
- CAS
117710-99-3- Standard SMILES
CCCCCCCC/C(C)=C\C(=O)C(F)(F)F- InChIKey
PPCWLYNDROOQBI-KHPPLWFESA-N- Molecular formula
- C13H21F3O
- Average molar mass
- 250.3 g/mol
- Monoisotopic mass
- 250.15444978
Names & identifiers
- Preferred name
- (Z)-1,1,1-Trifluoro-4-methyldodec-3-en-2-one
- IUPAC
- (Z)-1,1,1-trifluoro-4-methyldodec-3-en-2-one
Names & synonyms
(Z)-1,1,1-Trifluoro-4-methyldodec-3-en-2-one117710-99-3
Database identifiers
- CAS
117710-99-3- PubChem CID
- 6443370
- Nikkaji
- J247.289I
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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