Chemical ID: 4253613

CC(C(=O)O)Oc1ccc(cc1)C(F)(F)F
Chemical ID:
4253613
Name [?]:
2-[4-(trifluoromethyl)phenoxy]propanoic acid
SMILES [?]:
CC(C(=O)O)Oc1ccc(cc1)C(F)(F)F
InChi [?]:
InChI=1/C10H9F3O3/c1-6(9(14)15)16-8-4-2-7(3-5-8)10(11,12)13/h2-6H,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,9,11,8,12,2,10,7,3,13,14,15,16,4,5,6/E:(2,3)(4,5)(11,12,13)(14,15)/rA:16cCCCOOOCCCCCCCFFF/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s10;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9F3O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:5.6786
Area:377.888
Solvation:-3.7686
Coulombic:-53.8947
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:234.172
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.77
LogP (Chemaxon):2.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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