3-Fluoro-4-(trifluoromethoxy)phenylacetylene

• CAS: 912617-68-6
• Catalog Number: ACM912617686
• Category: Fluorinated Azaindoles
• Molecular Weight: 204.12
• Molecular Formula: C₁₂H₁₃FN₂O₂
• Synonyms: 4-Ethynyl-2-fluoro-1-(trifluoromethoxy)benzene, 4-Ethynyl-alpha,alpha,alpha,2-tetrafluoroanisole
• IUPAC Name: 4-ethynyl-2-fluoro-1-(trifluoromethoxy)benzene
• Canonical SMILES: C#CC1=CC(=C(C=C1)OC(F)(F)F)F
• InChI Key: MTPNHEDDMZRILD-UHFFFAOYSA-N
• Density: 1.279
• Exact Mass: 204.02000
• Hazard Statements: H302
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-Fluoro-4-(trifluoromethoxy)phenylacetylene?

The molecular formula is C9H4F4O.

What is the molecular weight of 3-Fluoro-4-(trifluoromethoxy)phenylacetylene?

The molecular weight is 204.12 g/mol.

What is the IUPAC Name of 3-Fluoro-4-(trifluoromethoxy)phenylacetylene?

The IUPAC Name is 4-ethynyl-2-fluoro-1-(trifluoromethoxy)benzene.

What is the InChIKey of 3-Fluoro-4-(trifluoromethoxy)phenylacetylene?

The InChIKey is MTPNHEDDMZRILD-UHFFFAOYSA-N.

How many hydrogen bond acceptors are present in 3-Fluoro-4-(trifluoromethoxy)phenylacetylene?

There are 5 hydrogen bond acceptors.

What is the exact mass of 3-Fluoro-4-(trifluoromethoxy)phenylacetylene?

The exact mass is 204.01982740 g/mol.

How many rotatable bonds are present in 3-Fluoro-4-(trifluoromethoxy)phenylacetylene?

There are 2 rotatable bonds.

What is the topological polar surface area of 3-Fluoro-4-(trifluoromethoxy)phenylacetylene?

The topological polar surface area is 9.2 Ų.

Is 3-Fluoro-4-(trifluoromethoxy)phenylacetylene a canonical compound?

Yes, it is a canonical compound.

What is the complexity value of 3-Fluoro-4-(trifluoromethoxy)phenylacetylene?

The complexity value is 239.