Home Other Building Blocks {[3-fluoro-5-(trifluoromethyl)phenyl]methyl}(methyl)amine

{[3-fluoro-5-(trifluoromethyl)phenyl]methyl}(methyl)amine

CAS No.:
690653-23-7
Catalog Number:
AG01AWXG
Molecular Formula:
C9H9F4N
Molecular Weight:
207.1681
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Product Description
Catalog Number:
AG01AWXG
Chemical Name:
{[3-fluoro-5-(trifluoromethyl)phenyl]methyl}(methyl)amine
CAS Number:
690653-23-7
Molecular Formula:
C9H9F4N
Molecular Weight:
207.1681
MDL Number:
MFCD23626931
IUPAC Name:
1-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylmethanamine
InChI:
InChI=1S/C9H9F4N/c1-14-5-6-2-7(9(11,12)13)4-8(10)3-6/h2-4,14H,5H2,1H3
InChI Key:
BSHXOUCKAXRBEP-UHFFFAOYSA-N
SMILES:
CNCc1cc(F)cc(c1)C(F)(F)F
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.172g/mol
Monoisotopic Mass:
207.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties