2,2,2-Trifluoroethanol
CAS Number: 75-89-8
Molecular Mass: 100.04 g/mol
Formula: CHF3O
Smiles: OC(F)(F)F
Melting point: -44.0 °C
Boiling point: 74.0 °C
Density: 1.288 g/cm3
Dipole moment: 1.52 D
Refractive index: 1.2907
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 89.1786 |
| PMI2 | 91.8848 |
| PMI3 | 93.7227 |
| NPR1 | 0.9515 |
| NPR2 | 0.9804 |
| RadiusOfGyration | 1.2639 |
| InertialShapeFactor | 0.0110 |
| Eccentricity | 0.3076 |
| Asphericity | 0.0008 |
| SpherocityIndex | 0.7073 |
| PBF | 0.3648 |