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

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

CAS No.:
159820-24-3
Catalog Number:
AG01B9S6
Molecular Formula:
C10H9F6N
Molecular Weight:
257.1756
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Product Description
Catalog Number:
AG01B9S6
Chemical Name:
{[3,5-bis(trifluoromethyl)phenyl]methyl}(methyl)amine
CAS Number:
159820-24-3
Molecular Formula:
C10H9F6N
Molecular Weight:
257.1756
MDL Number:
MFCD22581670
IUPAC Name:
1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine
InChI:
InChI=1S/C10H9F6N/c1-17-5-6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4,17H,5H2,1H3
InChI Key:
ADTNSTHKMIPKIJ-UHFFFAOYSA-N
SMILES:
CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.179g/mol
Monoisotopic Mass:
257.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties