Home Other Building Blocks {[4-fluoro-3-(trifluoromethyl)phenyl]methyl}(methyl)amine

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

CAS No.:
958863-61-1
Catalog Number:
AG01B03J
Molecular Formula:
C9H9F4N
Molecular Weight:
207.1681
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Product Description
Catalog Number:
AG01B03J
Chemical Name:
{[4-fluoro-3-(trifluoromethyl)phenyl]methyl}(methyl)amine
CAS Number:
958863-61-1
Molecular Formula:
C9H9F4N
Molecular Weight:
207.1681
MDL Number:
MFCD16083868
IUPAC Name:
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
InChI:
InChI=1S/C9H9F4N/c1-14-5-6-2-3-8(10)7(4-6)9(11,12)13/h2-4,14H,5H2,1H3
InChI Key:
AAMOYXXJPGBVDP-UHFFFAOYSA-N
SMILES:
CNCc1ccc(c(c1)C(F)(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