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Chemical ID: 7117178
Chemical ID:
7117178
Name [?]:
N-[3,4-bis(trifluoromethyl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(c(c1)C(F)(F)F)C(F)(F)F
InChi [?]:
InChI=1/C10H7F6NO/c1-5(18)17-6-2-3-7(9(11,12)13)8(4-6)10(14,15)16/h2-4H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,6,7,10,2,5,8,9,15,11,16,17,18,12,13,14,4,3/E:(11,12,13)(14,15,16)/rA:18nCCONCCCCCCCFFFCFFF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;s11;s11;s8;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7F6NO |
All Atoms: | 25 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.57465 |
Area: | 369.199 |
Solvation: | -3.65532 |
Coulombic: | -53.969 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 271.159 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.13 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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