2-(Heptafluoropropyl)-4,5-dihydro-1h-imidazole
Basic information
- CAS
4472-70-2- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C1=NCCN1- InChIKey
DCJMIOHJPJONIJ-UHFFFAOYSA-N- Molecular formula
- C6H5F7N2
- Average molar mass
- 238.11 g/mol
- Monoisotopic mass
- 238.0340953
Names & identifiers
- Preferred name
- 2-(Heptafluoropropyl)-4,5-dihydro-1h-imidazole
- IUPAC
- 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4,5-dihydro-1H-imidazole
Names & synonyms
2-(heptafluoropropyl)-4,5-dihydro-1h-imidazole4472-70-2DTXSID90292457RefChem:254073DTXCID80243599NSC82758NCIOpen2_004221NSC-82758NS00111897
Database identifiers
- CAS
4472-70-2- PubChem CID
- 256229
- DTXSID
DTXSID90292457
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
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
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Compound notes
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