Chemical ID: 5069314

CC1CC(NC1)c2cccc(c2)C(F)(F)F
Chemical ID:
5069314
Name [?]:
4-methyl-2-[3-(trifluoromethyl)phenyl]-pyrrolidine
SMILES [?]:
CC1CC(NC1)c2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C12H14F3N/c1-8-5-11(16-7-8)9-3-2-4-10(6-9)12(13,14)15/h2-4,6,8,11,16H,5,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,3,12,6,2,7,11,4,13,14,15,16,5/E:(13,14,15)/rA:16cCCCCNCCCCCCCCFFF/rB:s1;s2;s3;s4;s2s5;s4;s7;d8;s9;d10;d7s11;s11;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14F3N
All Atoms:16
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:7.95972
Area:380.128
Solvation:-1.54349
Coulombic:-29.3313
Bond Count [?]
All:17
Single:14
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:229.242
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.37
LogP (Chemaxon):3.25

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Descriptor Annotations

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