Home Other Building Blocks 4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol, trifluoroacetic acid

4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol, trifluoroacetic acid

CAS No.:
1803600-50-1
Catalog Number:
AG01AFOS
Molecular Formula:
C14H15F6NO4
Molecular Weight:
375.2636
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Product Description
Catalog Number:
AG01AFOS
Chemical Name:
4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol, trifluoroacetic acid
CAS Number:
1803600-50-1
Molecular Formula:
C14H15F6NO4
Molecular Weight:
375.2636
MDL Number:
MFCD27500950
IUPAC Name:
2,2,2-trifluoroacetic acid;4-[3-(trifluoromethoxy)phenyl]piperidin-4-ol
InChI:
InChI=1S/C12H14F3NO2.C2HF3O2/c13-12(14,15)18-10-3-1-2-9(8-10)11(17)4-6-16-7-5-11;3-2(4,5)1(6)7/h1-3,8,16-17H,4-7H2;(H,6,7)
InChI Key:
CIMGEHCGJOTQPZ-UHFFFAOYSA-N
SMILES:
FC(Oc1cccc(c1)C1(O)CCNCC1)(F)F.OC(=O)C(F)(F)F
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.091g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
375.267g/mol
Monoisotopic Mass:
375.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties