Imidazolidine, 2,2-bis(trifluoromethyl)-, hydrate
Basic information
- CAS
64038-67-1- Standard SMILES
FC(F)(F)C1(C(F)(F)F)NCCN1.O- InChIKey
BGHPNBADFZVYIL-UHFFFAOYSA-N- Molecular formula
- C5H8F6N2O
- Average molar mass
- 226.12 g/mol
- Monoisotopic mass
- 226.05408186
Names & identifiers
- Preferred name
- Imidazolidine, 2,2-bis(trifluoromethyl)-, hydrate
- IUPAC
- 2,2-bis(trifluoromethyl)imidazolidine;hydrate
Names & synonyms
64038-67-1IMIDAZOLIDINE, 2,2-BIS(TRIFLUOROMETHYL)-, HYDRATE2,2-Bis(trifluoromethyl)imidazolidine monohydrateDTXSID30214072RefChem:348928DTXCID301365632,2-Bis(trifluoromethyl)imidazolidine--water (1/1)Imidazolidine, 2,2-bis(trifluoromethyl)-, hydrate (1:1)
Database identifiers
- CAS
64038-67-1- PubChem CID
- 46534
- DTXSID
DTXSID30214072
Properties
Computed structural properties
- Topological polar surface area
- 25.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 172
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Related reactions
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Compound notes
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