Chemical ID: 7245046

c1ccc(cc1)CN(CC(F)(F)F)C(=O)CCl
Chemical ID:
7245046
Name [?]:
N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
SMILES [?]:
c1ccc(cc1)CN(CC(F)(F)F)C(=O)CCl
InChi [?]:
InChI=1/C11H11ClF3NO/c12-6-10(17)16(8-11(13,14)15)7-9-4-2-1-3-5-9/h1-5H,6-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,16,7,9,4,14,10,17,11,12,13,8,15/E:(2,3)(4,5)(13,14,15)/rA:17nCCCCCCCNCCFFFCOCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s10;s10;s8;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11ClF3NO
All Atoms:28
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.48083
Area:408.456
Solvation:-3.73057
Coulombic:-34.3079
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:265.659
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.22
LogP (Chemaxon):2.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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