2'-Fluoro-6'-(trifluoromethyl)acetophenone

• CAS: 174013-29-7
• Catalog Number: ACM174013297
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 206.14
• Molecular Formula: C9H6 F4 O
• Synonyms: 345733_ALDRICH, JRD-0329, SBB005971, ZINC00056755, 2-Fluoro-6-(trifluoromethyl)acetophenone, 2-Fluoro-6-(trifluoromethyl)-acetophenone, 1-[2-Fluoro-6-(trifluoromethyl)phenyl]ethanone, 174013-29-7
• IUPAC Name: 1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone
• Canonical SMILES: CC(=O)C1=C(C=CC=C1F)C(F)(F)F
• InChI Key: IYMYYQMPOBPRPU-UHFFFAOYSA-N
• Boiling Point: 200.6ºC at 760mmHg
• Flash Point: 86.1ºC
• Density: 1.32
• Appearance: colorless liquid
• Exact Mass: 206.03500
• Hazard Statements: H302-H319
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Safety Description: S26-S36
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2'-Fluoro-6'-(trifluoromethyl)acetophenone?

The molecular formula of 2'-Fluoro-6'-(trifluoromethyl)acetophenone is C9H6F4O.

What is the molecular weight of 2'-Fluoro-6'-(trifluoromethyl)acetophenone?

The molecular weight of 2'-Fluoro-6'-(trifluoromethyl)acetophenone is 206.14 g/mol.

What is the IUPAC name of 2'-Fluoro-6'-(trifluoromethyl)acetophenone?

The IUPAC name of 2'-Fluoro-6'-(trifluoromethyl)acetophenone is 1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone.

What is the InChI of 2'-Fluoro-6'-(trifluoromethyl)acetophenone?

The InChI of 2'-Fluoro-6'-(trifluoromethyl)acetophenone is InChI=1S/C9H6F4O/c1-5(14)8-6(9(11,12)13)3-2-4-7(8)10/h2-4H,1H3.

What is the InChIKey of 2'-Fluoro-6'-(trifluoromethyl)acetophenone?

The InChIKey of 2'-Fluoro-6'-(trifluoromethyl)acetophenone is IYMYYQMPOBPRPU-UHFFFAOYSA-N.

What is the Canonical SMILES of 2'-Fluoro-6'-(trifluoromethyl)acetophenone?

The Canonical SMILES of 2'-Fluoro-6'-(trifluoromethyl)acetophenone is CC(=O)C1=C(C=CC=C1F)C(F)(F)F.

What is the CAS number of 2'-Fluoro-6'-(trifluoromethyl)acetophenone?

The CAS number of 2'-Fluoro-6'-(trifluoromethyl)acetophenone is 174013-29-7.

What is the European Community (EC) number of 2'-Fluoro-6'-(trifluoromethyl)acetophenone?

The European Community (EC) number of 2'-Fluoro-6'-(trifluoromethyl)acetophenone is 623-199-1.

What is the XLogP3-AA value of 2'-Fluoro-6'-(trifluoromethyl)acetophenone?

The XLogP3-AA value of 2'-Fluoro-6'-(trifluoromethyl)acetophenone is 2.6.

Is 2'-Fluoro-6'-(trifluoromethyl)acetophenone a canonicalized compound?

Yes, 2'-Fluoro-6'-(trifluoromethyl)acetophenone is a canonicalized compound.