Chemical ID: 5808690

c1cc(ccc1C(=O)NCCC(=O)O)C(F)(F)F
Chemical ID:
5808690
Name [?]:
3-[4-(trifluoromethyl)benzoyl]aminopropanoic acid
SMILES [?]:
c1cc(ccc1C(=O)NCCC(=O)O)C(F)(F)F
InChi [?]:
InChI=1/C11H10F3NO3/c12-11(13,14)8-3-1-7(2-4-8)10(18)15-6-5-9(16)17/h1-4H,5-6H2,(H,15,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,10,6,3,12,7,15,16,17,18,9,13,14,8/E:(1,2)(3,4)(12,13,14)(16,17)/rA:18nCCCCCCCONCCCOOCFFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;d12;s12;s3;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10F3NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.96134
Area:429.574
Solvation:-3.77802
Coulombic:-65.937
Bond Count [?]
All:18
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:261.197
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.89
LogP (Chemaxon):1.55

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Descriptor Annotations

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