Chemical ID: 6666509

c1ccc(cc1)COC(=O)Nc2cccc(c2)C(F)(F)F
Chemical ID:
6666509
Name [?]:
benzyl [3-(trifluoromethyl)phenyl]aminoformate
SMILES [?]:
c1ccc(cc1)COC(=O)Nc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C15H12F3NO2/c16-15(17,18)12-7-4-8-13(9-12)19-14(20)21-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,3,5,15,13,17,7,4,16,12,9,18,19,20,21,11,10,8/E:(2,3)(5,6)(16,17,18)/rA:21nCCCCCCCOCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12F3NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.22997
Area:472.741
Solvation:-2.58854
Coulombic:-54.1277
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:295.257
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.08
LogP (Chemaxon):4.66

Name Annotations

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Descriptor Annotations

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