The molecular structure of 2,2,2-Trifluoroacetophenone (CAS NO.434-45-7):
.
IUPAC Name: 2,2,2-Trifluoro-1-phenylethanone 
Molecular Weight: 174.11991 g/mol
Molecular Formula: C₈H₅F₃O 
Density: 1.267 g/cm³ 
Melting Point: -40 °C
Boiling Point: 165.5 °C at 760 mmHg 
Flash Point: 41.7 °C
Index of Refraction: 1.447
Molar Refractivity: 36.73 cm³
Molar Volume: 137.3 cm³
Polarizability: 14.56×10^-24 cm³
Surface Tension: 28 dyne/cm 
Enthalpy of Vaporization: 40.2 kJ/mol
Vapour Pressure: 1.87 mmHg at 25 °C 
Storage Temp.: fFlammables area
Water Solubility: practically insoluble
XLogP3: 2.1
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 174.029249
MonoIsotopic Mass: 174.029249
Topological Polar Surface Area: 17.1
Heavy Atom Count: 12
Canonical SMILES: C1=CC=C(C=C1)C(=O)C(F)(F)F
InChI: InChI=1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H
InChIKey: KZJRKRQSDZGHEC-UHFFFAOYSA-N
EINECS: 207-103-1
Product Categories: ACETYLHALIDE; Aromatic Acetophenones & Derivatives (substituted); ketone

Hazard Codes: Xi, F
Risk Statements: 10-36/37/38 
R10:Flammable. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39-16 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S37/39:Wear suitable gloves and eye/face protection. 
S16:Keep away from sources of ignition.
RIDADR: UN 1224 3/PG 3
WGK Germany: 3
Hazard Note: Corrosive/Lachrymatory
TSCA: T
HazardClass: 3
PackingGroup: III
HS Code: 29147090

 2,2,2-Trifluoroacetophenone (CAS NO.434-45-7) is also named as 1,1,1-Trifluoroacetophenone ; 2,2,2-Trifluoro-1-phenylethanone ; NSC 42752 ; Phenyl trifluoromethyl ketone ; Trifluoromethyl phenyl ketone ; alpha,alpha,alpha-Trifluoroacetophenone ; 2,2,2-Trifluoroacetophenone ; Acetophenone, 2,2,2-trifluoro- (8CI) ; Ethanone, 2,2,2-trifluoro-1-phenyl- . 2,2,2-Trifluoroacetophenone (CAS NO.434-45-7) is clear colorless to yellow liquid.