Home Other Building Blocks 3-(2-fluoropropan-2-yl)pyrrolidine, trifluoroacetic acid

3-(2-fluoropropan-2-yl)pyrrolidine, trifluoroacetic acid

CAS No.:
2138045-21-1
Catalog Number:
AG01EHWG
Molecular Formula:
C9H15F4NO2
Molecular Weight:
245.2145
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Product Description
Catalog Number:
AG01EHWG
Chemical Name:
3-(2-fluoropropan-2-yl)pyrrolidine, trifluoroacetic acid
CAS Number:
2138045-21-1
Molecular Formula:
C9H15F4NO2
Molecular Weight:
245.2145
MDL Number:
MFCD31558996
IUPAC Name:
3-(2-fluoropropan-2-yl)pyrrolidine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C7H14FN.C2HF3O2/c1-7(2,8)6-3-4-9-5-6;3-2(4,5)1(6)7/h6,9H,3-5H2,1-2H3;(H,6,7)
InChI Key:
GKAJWFAEHGARSP-UHFFFAOYSA-N
SMILES:
CC(C1CNCC1)(F)C.OC(=O)C(F)(F)F
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.104g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.218g/mol
Monoisotopic Mass:
245.104g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties