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Chemical ID: 7089373
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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