CID 47120342
PubChem CID
47120342
Structure
Molecular Formula
Status
Non-live
Molecular Weight
257.21 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
2,2,2-trifluoroethyl 2-methyl-1H-indole-3-carboxylate
InChI=1S/C12H10F3NO2/c1-7-10(11(17)18-6-12(13,14)15)8-4-2-3-5-9(8)16-7/h2-5,16H,6H2,1H3
GBYUFMBBXAMHFN-UHFFFAOYSA-N
CC1=C(C2=CC=CC=C2N1)C(=O)OCC(F)(F)F
C12H10F3NO2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
257.21 g/mol
Property Name
XLogP3-AA
Property Value
3.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
257.06636305 g/mol
Property Name
Monoisotopic Mass
Property Value
257.06636305 g/mol
Property Name
Topological Polar Surface Area
Property Value
42.1 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
319
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS