Chemical ID: 4717618

CC(C)NC(=O)c1ccc(cc1)C(=O)C(F)(F)F
Chemical ID:
4717618
Name [?]:
N-isopropyl-4-(2,2,2-trifluoroacetyl)-benzamide
SMILES [?]:
CC(C)NC(=O)c1ccc(cc1)C(=O)C(F)(F)F
InChi [?]:
InChI=1/C12H12F3NO2/c1-7(2)16-11(18)9-5-3-8(4-6-9)10(17)12(13,14)15/h3-7H,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,9,11,8,12,2,10,7,13,5,15,16,17,18,4,14,6/E:(1,2)(3,4)(5,6)(13,14,15)/rA:18nCCCNCOCCCCCCCOCFFF/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12F3NO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.8542
Area:421.112
Solvation:-2.67359
Coulombic:-51.1325
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:259.224
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.85
LogP (Chemaxon):2.12

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