Home Other Building Blocks 3-benzylpyrrolidin-3-ol, trifluoroacetic acid

3-benzylpyrrolidin-3-ol, trifluoroacetic acid

CAS No.:
1803591-70-9
Catalog Number:
AG01BHBS
Molecular Formula:
C13H16F3NO3
Molecular Weight:
291.2662
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Product Description
Catalog Number:
AG01BHBS
Chemical Name:
3-benzylpyrrolidin-3-ol, trifluoroacetic acid
CAS Number:
1803591-70-9
Molecular Formula:
C13H16F3NO3
Molecular Weight:
291.2662
MDL Number:
MFCD28139584
IUPAC Name:
3-benzylpyrrolidin-3-ol;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C11H15NO.C2HF3O2/c13-11(6-7-12-9-11)8-10-4-2-1-3-5-10;3-2(4,5)1(6)7/h1-5,12-13H,6-9H2;(H,6,7)
InChI Key:
WCTBVWWRXFWJDQ-UHFFFAOYSA-N
SMILES:
OC1(CNCC1)Cc1ccccc1.OC(=O)C(F)(F)F
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.108g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
291.27g/mol
Monoisotopic Mass:
291.108g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties