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Chemical ID: 4680294
Chemical ID:
4680294
Name [?]:
N-sec-butyl-4-(trifluoromethyl)benzamide
SMILES [?]:
CCC(C)NC(=O)c1ccc(cc1)C(F)(F)F
InChi [?]:
InChI=1/C12H14F3NO/c1-3-8(2)16-11(17)9-4-6-10(7-5-9)12(13,14)15/h4-8H,3H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,4,2,9,13,10,12,3,8,11,6,14,15,16,17,5,7/E:(4,5)(6,7)(13,14,15)/rA:17cCCCCNCOCCCCCCCFFF/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14F3NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.05262 |
Area: | 410.981 |
Solvation: | -2.22191 |
Coulombic: | -41.8744 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 245.241 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.59 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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