Home Other Building Blocks 3-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpyrrolidine

3-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpyrrolidine

CAS No.:
1469306-93-1
Catalog Number:
AG01EHVE
Molecular Formula:
C13H18FNO
Molecular Weight:
223.2865
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Product Description
Catalog Number:
AG01EHVE
Chemical Name:
3-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpyrrolidine
CAS Number:
1469306-93-1
Molecular Formula:
C13H18FNO
Molecular Weight:
223.2865
MDL Number:
MFCD21162166
IUPAC Name:
3-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpyrrolidine
InChI:
InChI=1S/C13H18FNO/c1-13(2)10(6-7-15-13)9-4-5-12(16-3)11(14)8-9/h4-5,8,10,15H,6-7H2,1-3H3
InChI Key:
ADFBBMMNMXHTGG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)C1CCNC1(C)C
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.137g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.291g/mol
Monoisotopic Mass:
223.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties