3-[(2,2,3,3,4,4,4-Heptafluorobutoxy)methyl]-3-methyloxetane
Basic information
- CAS
156294-55-2- Standard SMILES
CC1(COCC(F)(F)C(F)(F)C(F)(F)F)COC1- InChIKey
QZYAQRJJGPOBHO-UHFFFAOYSA-N- Molecular formula
- C9H11F7O2
- Average molar mass
- 284.17 g/mol
- Monoisotopic mass
- 284.06472672
Names & identifiers
- Preferred name
- 3-[(2,2,3,3,4,4,4-Heptafluorobutoxy)methyl]-3-methyloxetane
- IUPAC
- 3-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)-3-methyloxetane
Names & synonyms
156294-55-23-[(2,2,3,3,4,4,4-heptafluorobutoxy)methyl]-3-methyloxetane3-(2,2,3,3,4,4,4-HEPTAFLUOROBUTOXYMETHYL)-3-METHYLOXETANESCHEMBL2851964DTXSID00621512NS00108825
Database identifiers
- CAS
156294-55-2- PubChem CID
- 22015266
- DTXSID
DTXSID00621512- Nikkaji
- J1.920.711K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
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
1 records
Compound notes
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