Chemical ID: 4275482

c1ccc(c(c1)NC(=O)C(C(F)(F)F)C(F)(F)F)[N+](=O)[O-]
Chemical ID:
4275482
Name [?]:
3,3,3-trifluoro-N-(2-nitrophenyl)-2-(trifluoromethyl)propanamide
SMILES [?]:
c1ccc(c(c1)NC(=O)C(C(F)(F)F)C(F)(F)F)[N+](=O)[O-]
InChi [?]:
InChI=1/C10H6F6N2O3/c11-9(12,13)7(10(14,15)16)8(19)17-5-3-1-2-4-6(5)18(20)21/h1-4,7H,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,10,8,11,15,12,13,14,16,17,18,7,19,9,20,21/E:(9,10)(11,12,13,14,15,16)(20,21)/CRV:18.5/rA:21nCCCCCCNCOCCFFFCFFFN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s11;s11;s10;s15;s15;s15;s4;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6F6N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:2.21358
Area:406.707
Solvation:-7.95409
Coulombic:-63.2768
Bond Count [?]
All:21
Single:16
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:316.157
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.24
LogP (Chemaxon):3.35

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Descriptor Annotations

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