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Chemical ID: 4363323
Chemical ID:
4363323
Name [?]:
N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccccc1SC(F)(F)F
InChi [?]:
InChI=1/C9H8F3NOS/c1-6(14)13-7-4-2-3-5-8(7)15-9(10,11)12/h2-5H,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,2,5,10,12,13,14,15,4,3,11/E:(10,11,12)/rA:15nCCONCCCCCCSCFFF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8F3NOS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.93929 |
Area: | 365.402 |
Solvation: | -2.19575 |
Coulombic: | -40.1927 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 235.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.02 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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