Chemical ID: 6687191

c1cc(ccc1CCC(=O)O)C(F)(F)F
Chemical ID:
6687191
Name [?]:
3-[4-(trifluoromethyl)phenyl]propanoic acid
SMILES [?]:
c1cc(ccc1CCC(=O)O)C(F)(F)F
InChi [?]:
InChI=1/C10H9F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-2,4-5H,3,6H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,7,2,4,8,6,3,9,12,13,14,15,10,11/E:(1,2)(4,5)(11,12,13)(14,15)/rA:15nCCCCCCCCCOOCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s3;s12;s12;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9F3O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.67805
Area:368.59
Solvation:-2.53671
Coulombic:-45.548
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:218.172
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.54
LogP (Chemaxon):2.96

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Descriptor Annotations

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