Basic information
- CAS
89889-25-8- Standard SMILES
CC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
IDSZRNIXPFFLFW-UHFFFAOYSA-N- Molecular formula
- C7H6F9I
- Average molar mass
- 388.01 g/mol
- Monoisotopic mass
- 387.93705
Names & identifiers
- Preferred name
- 1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodoheptane
- IUPAC
- 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodoheptane
Names & synonyms
89889-25-81,1,1,2,2,3,3,4,4-NONAFLUORO-6-IODOHEPTANEDTXSID50601809RefChem:212669DTXCID70552566Heptane, 1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo-SCHEMBL7907673SCHEMBL9854276IDSZRNIXPFFLFW-UHFFFAOYSA-NNS00110566
Database identifiers
- CAS
89889-25-8- PubChem CID
- 20029263
- DTXSID
DTXSID50601809
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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