Chemical ID: 4778295

CCOC(=O)CNC(=O)c1ccc(cc1)C(F)(F)F
Chemical ID:
4778295
Name [?]:
ethyl 2-[4-(trifluoromethyl)benzoyl]aminoacetate
SMILES [?]:
CCOC(=O)CNC(=O)c1ccc(cc1)C(F)(F)F
InChi [?]:
InChI=1/C12H12F3NO3/c1-2-19-10(17)7-16-11(18)8-3-5-9(6-4-8)12(13,14)15/h3-6H,2,7H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,11,15,12,14,6,10,13,4,8,16,17,18,19,7,5,9,3/E:(3,4)(5,6)(13,14,15)/rA:19nCCOCOCNCOCCCCCCCFFF/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12F3NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.21478
Area:455.716
Solvation:-3.17811
Coulombic:-59.9288
Bond Count [?]
All:19
Single:14
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:275.224
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.48
LogP (Chemaxon):1.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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