Chemical ID: 3990051

c1cc(cc(c1)OCC(=O)O)C(F)(F)F
Chemical ID:
3990051
Name [?]:
2-[3-(trifluoromethyl)phenoxy]acetic acid
SMILES [?]:
c1cc(cc(c1)OCC(=O)O)C(F)(F)F
InChi [?]:
InChI=1/C9H7F3O3/c10-9(11,12)6-2-1-3-7(4-6)15-5-8(13)14/h1-4H,5H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,8,3,5,9,12,13,14,15,10,11,7/E:(10,11,12)(13,14)/rA:15nCCCCCCOCCOOCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s3;s12;s12;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7F3O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:4.90602
Area:361.419
Solvation:-4.12946
Coulombic:-52.6118
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:220.145
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.24
LogP (Chemaxon):2.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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