Chemical ID: 4264926

CC(C)(C)C(=O)Nc1cccc(c1)C(F)(F)F
Chemical ID:
4264926
Name [?]:
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1cccc(c1)C(F)(F)F
InChi [?]:
InChI=1/C12H14F3NO/c1-11(2,3)10(17)16-9-6-4-5-8(7-9)12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,11,9,13,12,8,5,2,14,15,16,17,7,6/E:(1,2,3)(13,14,15)/rA:17nCCCCCONCCCCCCCFFF/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14F3NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.68341
Area:398.928
Solvation:-2.2898
Coulombic:-40.0541
Bond Count [?]
All:17
Single:13
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:245.241
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.95
LogP (Chemaxon):4.11

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Descriptor Annotations

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