Chemical ID: 6448053

c1cc(cc(c1)NC(=O)OCc2ccncc2)C(F)(F)F
Chemical ID:
6448053
Name [?]:
4-pyridylmethyl [3-(trifluoromethyl)phenyl]aminoformate
SMILES [?]:
c1cc(cc(c1)NC(=O)OCc2ccncc2)C(F)(F)F
InChi [?]:
InChI=1/C14H11F3N2O2/c15-14(16,17)11-2-1-3-12(8-11)19-13(20)21-9-10-4-6-18-7-5-10/h1-8H,9H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,17,14,16,4,11,12,3,5,8,18,19,20,21,15,7,9,10/E:(4,5)(6,7)(15,16,17)/rA:21nCCCCCCNCOOCCCCNCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s3;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11F3N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.47979
Area:468.402
Solvation:-3.23026
Coulombic:-56.699
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:296.245
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.83
LogP (Chemaxon):3.34

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