Chemical ID: 4748719

c1c(cc(cc1C(F)(F)F)N2C(=O)CCC2=O)C(F)(F)F
Chemical ID:
4748719
Name [?]:
1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILES [?]:
c1c(cc(cc1C(F)(F)F)N2C(=O)CCC2=O)C(F)(F)F
InChi [?]:
InChI=1/C12H7F6NO2/c13-11(14,15)6-3-7(12(16,17)18)5-8(4-6)19-9(20)1-2-10(19)21/h3-5H,1-2H2
InChi Info:
AuxInfo=1/0/N:14,15,1,3,5,2,6,4,12,16,18,7,19,20,21,8,9,10,11,13,17/E:(1,2)(4,5)(6,7)(9,10)(11,12)(13,14,15,16,17,18)(20,21)/rA:21nCCCCCCCFFFNCOCCCOCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s11;d12;s12;s14;s11s15;d16;s2;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H7F6NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.9053
Area:420.972
Solvation:-4.619
Coulombic:-57.8531
Bond Count [?]
All:22
Single:17
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:311.18
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.59
LogP (Chemaxon):2.62

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