Chemical ID: 6046652

CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O
Chemical ID:
6046652
Name [?]:
2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-propanamide
SMILES [?]:
CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O
InChi [?]:
InChI=1/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,8,9,12,7,11,10,4,2,13,14,15,16,6,17,5,20,18,19/E:(1,2)(12,13,14)(19,20)/CRV:16.5/rA:20nCCCCONCCCCCCCFFFN+OO-O/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;s13;s13;s10;d17;s17;s2;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11F3N2O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:1.13946
Area:429.708
Solvation:-9.60325
Coulombic:-64.2362
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:292.211
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.57
LogP (Chemaxon):2.39

Name Annotations

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Descriptor Annotations

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