Home Halogens 3-(2-Pyrrolidinoethoxy)benzotrifluoride

3-(2-Pyrrolidinoethoxy)benzotrifluoride

CAS No.:
1257665-08-9
Catalog Number:
AG009BQQ
Molecular Formula:
C13H16F3NO
Molecular Weight:
259.2674
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$75
- +
5g
96%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG009BQQ
Chemical Name:
3-(2-Pyrrolidinoethoxy)benzotrifluoride
CAS Number:
1257665-08-9
Molecular Formula:
C13H16F3NO
Molecular Weight:
259.2674
MDL Number:
MFCD18087721
IUPAC Name:
1-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
InChI:
InChI=1S/C13H16F3NO/c14-13(15,16)11-4-3-5-12(10-11)18-9-8-17-6-1-2-7-17/h3-5,10H,1-2,6-9H2
InChI Key:
SIMUFYNZEAJCIK-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)OCCN1CCCC1)(F)F
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.118g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.272g/mol
Monoisotopic Mass:
259.118g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties