1-Aziridinemethanol, alpha,alpha-bis(trifluoromethyl)-
Basic information
- CAS
773-23-9- Standard SMILES
OC(N1CC1)(C(F)(F)F)C(F)(F)F- InChIKey
UWDWPQFDNOSJEP-UHFFFAOYSA-N- Molecular formula
- C5H5F6NO
- Average molar mass
- 209.09 g/mol
- Monoisotopic mass
- 209.02753276
Names & identifiers
- Preferred name
- 1-Aziridinemethanol, alpha,alpha-bis(trifluoromethyl)-
- IUPAC
- 2-(aziridin-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
- English name
- α,α-Bis(trifluoromethyl)-1-aziridinemethanol
- Molecular formula
- C5H5F6NO
- Molecular weight
- 209.09
Names & synonyms
773-23-91-AZIRIDINEMETHANOL, alpha,alpha-BIS(TRIFLUOROMETHYL)-J6R8WF8SLKalpha,alpha-Bis(trifluoromethyl)-1-aziridinemethanolNSC-101314DTXSID30228018RefChem:1054892DTXCID50150509.alpha.,.alpha.-Bis(trifluoromethyl)-1-aziridinemethanol2-(aziridin-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-olNSC 101314BRN 1308354
Show more names
α,α-Bis(trifluoromethyl)-1-aziridinemethanol1-Aziridinemethanol, α,α-bis(trifluoromethyl)-
WLN: T3NTJ AXQXFFFXFFFNSC101314UNII-J6R8WF8SLK5-20-01-00027 (Beilstein Handbook Reference)1-Aziridinemethanol, .alpha.,.alpha.-bis(trifluoromethyl)-1-Aziridinemethanol,.alpha.-bis(trifluoromethyl)-
Database identifiers
- CAS
773-23-9- PubChem CID
- 13045
- DTXSID
DTXSID30228018- UNII
- J6R8WF8SLK
- Nikkaji
- J54.706I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 23.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Melting point
- 147 · 147-149.5 °C
- Boiling point
- 125.9 · 125.9±40.0 °C(Predicted)
- Density
- 1.681 · 1.681±0.06 g/cm3(Predicted)
- pka
- 9.21 · 9.21±0.29(Predicted)
- FDA UNII
- 6 R8WF8SLK · J6R8WF8SLK
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Compound notes
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