Chemical ID: 6666542

c1cc(cc(c1)NC(=O)Oc2ccc(cc2)Cl)C(F)(F)F
Chemical ID:
6666542
Name [?]:
(4-chlorophenyl) [3-(trifluoromethyl)phenyl]aminoformate
SMILES [?]:
c1cc(cc(c1)NC(=O)Oc2ccc(cc2)Cl)C(F)(F)F
InChi [?]:
InChI=1/C14H9ClF3NO2/c15-10-4-6-12(7-5-10)21-13(20)19-11-3-1-2-9(8-11)14(16,17)18/h1-8H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,15,12,16,4,3,14,5,11,8,18,17,19,20,21,7,9,10/E:(4,5)(6,7)(16,17,18)/rA:21nCCCCCCNCOOCCCCCCClCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s3;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9ClF3NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.62108
Area:475.65
Solvation:-2.27017
Coulombic:-53.4281
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:315.675
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.56
LogP (Chemaxon):5.08

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