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Chemical ID: 4275482
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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