Chemical ID: 7089373

CCOC(=O)Cc1cccc(c1)C(F)(F)F
Chemical ID:
7089373
Name [?]:
ethyl 2-[3-(trifluoromethyl)phenyl]acetate
SMILES [?]:
CCOC(=O)Cc1cccc(c1)C(F)(F)F
InChi [?]:
InChI=1/C11H11F3O2/c1-2-16-10(15)7-8-4-3-5-9(6-8)11(12,13)14/h3-6H,2,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,8,10,12,6,7,11,4,13,14,15,16,5,3/E:(12,13,14)/rA:16nCCOCOCCCCCCCCFFF/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11F3O2
All Atoms:27
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.13263
Area:390.891
Solvation:-2.63964
Coulombic:-37.8044
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:232.199
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.12
LogP (Chemaxon):2.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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