Home Other Building Blocks (1S)-2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine

(1S)-2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine

CAS No.:
1213010-73-1
Catalog Number:
AG01BDN8
Molecular Formula:
C9H9F4NO
Molecular Weight:
223.1675
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Product Description
Catalog Number:
AG01BDN8
Chemical Name:
(1S)-2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethan-1-amine
CAS Number:
1213010-73-1
Molecular Formula:
C9H9F4NO
Molecular Weight:
223.1675
MDL Number:
MFCD07374839
IUPAC Name:
(1S)-2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
InChI:
InChI=1S/C9H9F4NO/c1-15-7-3-2-5(4-6(7)10)8(14)9(11,12)13/h2-4,8H,14H2,1H3/t8-/m0/s1
InChI Key:
XXLGVMVNOAINFF-QMMMGPOBSA-N
SMILES:
COc1ccc(cc1F)[C@@H](C(F)(F)F)N
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
223.062g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.171g/mol
Monoisotopic Mass:
223.062g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties