Chemical ID: 7113738

CC(c1ccccc1)NCc2ccccc2C(F)(F)F
Chemical ID:
7113738
Name [?]:
1-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILES [?]:
CC(c1ccccc1)NCc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C16H16F3N/c1-12(13-7-3-2-4-8-13)20-11-14-9-5-6-10-15(14)16(17,18)19/h2-10,12,20H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,13,14,4,8,12,15,10,2,3,11,16,17,18,19,20,9/E:(3,4)(7,8)(17,18,19)/rA:20cCCCCCCCCNCCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16F3N
All Atoms:36
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.97111
Area:445.067
Solvation:-2.15558
Coulombic:-30.7005
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:279.3
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.69
LogP (Chemaxon):4.64

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