Basic information
- CAS
3108-05-2- Standard SMILES
CC(=O)OCC(I)CC(F)(F)C(F)(F)C(F)(F)F- InChIKey
TYWLMXXVTNXETF-UHFFFAOYSA-N- Molecular formula
- C8H8F7IO2
- Average molar mass
- 396.04 g/mol
- Monoisotopic mass
- 395.94572
Names & identifiers
- Preferred name
- 4,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetate
- IUPAC
- (4,4,5,5,6,6,6-heptafluoro-2-iodohexyl) acetate
- English name
- 1-Hexanol, 4,4,5,5,6,6,6-heptafluoro-2-iodo-, acetate
- Molecular formula
- C8H8F7IO2
- Molecular weight
- 396.04
Names & synonyms
3108-05-21-HEXANOL, 4,4,5,5,6,6,6-HEPTAFLUORO-2-IODO-, ACETATEK0V5NJ5FFPNSC-2211284,4,5,5,6,6,6-Heptafluoro-2-iodo-1-hexanol acetateRefChem:10693074,4,5,5,6,6,6-Heptafluoro-2-iodohexyl acetate3-(Perfluoropropyl)-2-iodopropanol acetateNSC221128NSC 221128BRN 1882675UNII-K0V5NJ5FFP
Show more names
4,4,5,5,6,6,6-Heptafluoro-2-iodohexan-1-ol acetate1-Hexanol, 4,4,5,5,6,6,6-heptafluoro-2-iodo-, 1-acetate
DTXSID00896985TYWLMXXVTNXETF-UHFFFAOYSA-NNS001090904,5,5,6,6,6-Heptafluoro-2-iodohexyl acetate1-Hexanol,4,5,5,6,6,6-heptafluoro-2-iodo-, acetate
Database identifiers
- CAS
3108-05-2- PubChem CID
- 18366
- DTXSID
DTXSID00896985- UNII
- K0V5NJ5FFP
- Nikkaji
- J49.426G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 V5NJ5FFP · K0V5NJ5FFP
- EPA Substance Registry System
- 3 · 3-(Perfluoropropyl)-2-iodopropanol acetate (3108-05-2)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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