Imidazolidine, 2-heptafluoropropyl-
Basic information
- CAS
31185-53-2- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C1NCCN1- InChIKey
GBFSEHYWHMNICI-UHFFFAOYSA-N- Molecular formula
- C6H7F7N2
- Average molar mass
- 240.12 g/mol
- Monoisotopic mass
- 240.04974537
Names & identifiers
- Preferred name
- Imidazolidine, 2-heptafluoropropyl-
- IUPAC
- 2-(1,1,2,2,3,3,3-heptafluoropropyl)imidazolidine
- English name
- 2-(Heptafluoropropyl)imidazolidine
- Molecular formula
- C6H7F7N2
- Molecular weight
- 240.12
Names & synonyms
IMIDAZOLIDINE, 2-HEPTAFLUOROPROPYL-31185-53-22-HeptafluoropropylimidazolidineBRN 0515382DTXSID401851085-23-03-00335 (Beilstein Handbook Reference)RefChem:348937DTXCID101075992-(Heptafluoropropyl)imidazolidineNS00110181Imidazolidine, 2-(1,1,2,2,3,3,3-heptafluoropropyl)-
Database identifiers
- CAS
31185-53-2- PubChem CID
- 35749
- DTXSID
DTXSID40185108- Nikkaji
- J40.904I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 143.2 · 143.2±40.0 °C(Predicted)
- Density
- 1.422 · 1.422±0.06 g/cm3(Predicted)
- pka
- 7.8 · 7.80±0.40(Predicted)
- EPA Substance Registry System
- 2 · Imidazolidine, 2-heptafluoropropyl- (31185-53-2)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
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Compound notes
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