Chemical ID: 6690142

CCOC(=O)CC(=O)c1cccc(c1)C(F)(F)F
Chemical ID:
6690142
Name [?]:
ethyl 3-oxo-3-[3-(trifluoromethyl)phenyl]-propanoate
SMILES [?]:
CCOC(=O)CC(=O)c1cccc(c1)C(F)(F)F
InChi [?]:
InChI=1/C12H11F3O3/c1-2-18-11(17)7-10(16)8-4-3-5-9(6-8)12(13,14)15/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,14,6,9,13,7,4,15,16,17,18,8,5,3/E:(13,14,15)/rA:18nCCOCOCCOCCCCCCCFFF/rB:s1;s2;s3;d4;s4;s6;d7;s7;s9;d10;s11;d12;d9s13;s13;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11F3O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:5.99936
Area:424.357
Solvation:-4.60957
Coulombic:-42.6731
Bond Count [?]
All:18
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:260.209
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.31
LogP (Chemaxon):2.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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