Chemical ID: 5838079

c1cc(ccc1CNC(=O)C(F)(F)F)CNC(=O)C(F)(F)F
Chemical ID:
5838079
Name [?]:
2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)aminomethyl]phenyl]methyl]acetamide
SMILES [?]:
c1cc(ccc1CNC(=O)C(F)(F)F)CNC(=O)C(F)(F)F
InChi [?]:
InChI=1/C12H10F6N2O2/c13-11(14,15)9(21)19-5-7-1-2-8(4-3-7)6-20-10(22)12(16,17)18/h1-4H,5-6H2,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,7,15,6,3,9,17,11,19,12,13,14,20,21,22,8,16,10,18/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14,15,16,17,18)(19,20)(21,22)/gE:(1,2)/rA:22nCCCCCCCNCOCFFFCNCOCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s11;s11;s3;s15;s16;d17;s17;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10F6N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.72238
Area:483.243
Solvation:-3.3587
Coulombic:-87.265
Bond Count [?]
All:22
Single:17
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:328.211
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.22
LogP (Chemaxon):2.16

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