Home Other Building Blocks 3,3,3-trifluoro-1-(1H-indol-3-yl)propan-1-one

3,3,3-trifluoro-1-(1H-indol-3-yl)propan-1-one

CAS No.:
1094462-44-8
Catalog Number:
AG01AG2G
Molecular Formula:
C11H8F3NO
Molecular Weight:
227.1825
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Product Description
Catalog Number:
AG01AG2G
Chemical Name:
3,3,3-trifluoro-1-(1H-indol-3-yl)propan-1-one
CAS Number:
1094462-44-8
Molecular Formula:
C11H8F3NO
Molecular Weight:
227.1825
MDL Number:
MFCD11211129
IUPAC Name:
3,3,3-trifluoro-1-(1H-indol-3-yl)propan-1-one
InChI:
InChI=1S/C11H8F3NO/c12-11(13,14)5-10(16)8-6-15-9-4-2-1-3-7(8)9/h1-4,6,15H,5H2
InChI Key:
GWCXEQROPWOFAU-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c2c1cccc2)CC(F)(F)F
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.056g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.186g/mol
Monoisotopic Mass:
227.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties