1,1,1,2,2,3,5,5,6,6,7,7,7-Tridecafluorohept-3-ene
Basic information
- CAS
648-39-5- Standard SMILES
FC(=CC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F- InChIKey
IMFRQXJTPNCKAO-UHFFFAOYSA-N- Molecular formula
- C7HF13
- Average molar mass
- 332.06 g/mol
- Monoisotopic mass
- 331.9870661
Names & identifiers
- Preferred name
- 1,1,1,2,2,3,5,5,6,6,7,7,7-Tridecafluorohept-3-ene
- IUPAC
- 1,1,1,2,2,3,5,5,6,6,7,7,7-tridecafluorohept-3-ene
Names & synonyms
1,1,1,2,2,3,5,5,6,6,7,7,7-Tridecafluorohept-3-ene648-39-5SCHEMBL332902DTXSID50895261IMFRQXJTPNCKAO-UHFFFAOYSA-NNS001106931(Perfluoroethyl)1-fluoro-2-(perfluoropropyl)ethene
Database identifiers
- CAS
648-39-5- PubChem CID
- 91045205
- DTXSID
DTXSID50895261
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 381
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
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Related reactions
0 records
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Compound notes
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