Basic information
- CAS
24160-20-1- Standard SMILES
O=C(CCN1CC1)OCC(F)(F)C(F)(F)C(F)(F)F- InChIKey
KFTQFKUTBYCXES-UHFFFAOYSA-N- Molecular formula
- C9H10F7NO2
- Average molar mass
- 297.17 g/mol
- Monoisotopic mass
- 297.0599757
Names & identifiers
- Preferred name
- 1-Aziridinepropionic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
- IUPAC
- 2,2,3,3,4,4,4-heptafluorobutyl 3-(aziridin-1-yl)propanoate
Names & synonyms
24160-20-11-AZIRIDINEPROPIONIC ACID, 2,2,3,3,4,4,4-HEPTAFLUOROBUTYL ESTER1-Aziridinepropanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl esterDTXSID60178870RefChem:227740DTXCID201013612,2,3,3,4,4,4-heptafluorobutyl 3-(aziridin-1-yl)propanoateNS00110859
Database identifiers
- CAS
24160-20-1- PubChem CID
- 32246
- DTXSID
DTXSID60178870- Nikkaji
- J84.754B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
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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