Chemical ID: 4724946

c1cc(ccc1CC(C(=O)O)[NH3+])C(F)(F)F
Chemical ID:
4724946
Name [?]:
[1-carboxy-2-[4-(trifluoromethyl)phenyl]-ethyl]ammonium
SMILES [?]:
c1cc(ccc1CC(C(=O)O)[NH3+])C(F)(F)F
InChi [?]:
InChI=1/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/p+1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,6,3,8,9,13,14,15,16,12,10,11/E:(1,2)(3,4)(11,12,13)(15,16)/rA:16cCCCCCCCCCOON+CFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s8;s3;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11F3NO2+
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:-32.4762
Area:380.645
Solvation:-41.9924
Coulombic:1.29638
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:234.195
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.45
LogP (Chemaxon):-0.26

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