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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1H-Indole, 6-(trifluoromethyl)-

FC(c1ccc2c(c1)[nH]cc2)(F)F Request for Quotation
Chemical Name: 1H-Indole, 6-(trifluoromethyl)-
CAS Number: 13544-43-9
Product Number: AG007LES(AGN-PC-0KKYAJ)
Synonyms:
MDL No: MFCD00272316
Molecular Formula: C9H6F3N
Molecular Weight: 185.1458

Identification/Properties

Computed Properties
Molecular Weight:
185.149g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
185.045g/mol
Monoisotopic Mass:
185.045g/mol
Topological Polar Surface Area:
15.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
190
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


6-(Trifluoromethyl)indole is a versatile building block in organic synthesis due to its unique chemical properties. This compound is commonly used as a key intermediate in the preparation of pharmaceuticals, agrochemicals, and various functional materials. Its trifluoromethyl group imparts enhanced lipophilicity and stability to the molecule, making it an attractive candidate for drug discovery and development. In chemical synthesis, 6-(Trifluoromethyl)indole serves as a valuable starting material for the construction of complex organic molecules through various reactions such as Friedel-Crafts acylation, nucleophilic substitution, and cross-coupling reactions. Its presence as a structural motif in biologically active compounds highlights its importance in medicinal chemistry and material science research. By incorporating 6-(Trifluoromethyl)indole into molecular designs, chemists can tailor the properties of target compounds to achieve desired biological activities or material characteristics. This compound plays a crucial role in advancing the field of organic synthesis by enabling the creation of novel molecules with diverse applications.