Chemical ID: 5194616

CC(C)(C)c1ccc(cc1)OC(=O)Nc2cccc(c2)C(F)(F)F
Chemical ID:
5194616
Name [?]:
(4-tert-butylphenyl) [3-(trifluoromethyl)phenyl]aminoformate
SMILES [?]:
CC(C)(C)c1ccc(cc1)OC(=O)Nc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C18H18F3NO2/c1-17(2,3)12-7-9-15(10-8-12)24-16(23)22-14-6-4-5-13(11-14)18(19,20)21/h4-11H,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,18,16,6,10,7,9,20,5,19,15,8,12,2,21,22,23,24,14,13,11/E:(1,2,3)(7,8)(9,10)(19,20,21)/rA:24nCCCCCCCCCCOCONCCCCCCCFFF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18F3NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.8245
Area:523.396
Solvation:-2.26037
Coulombic:-54.186
Bond Count [?]
All:25
Single:18
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:337.336
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.75
LogP (Chemaxon):6.19

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