Chemical ID: 6674605

CCc1ccccc1NC(=O)Oc2cccc(c2)C(F)(F)F
Chemical ID:
6674605
Name [?]:
[3-(trifluoromethyl)phenyl] (2-ethylphenyl)aminoformate
SMILES [?]:
CCc1ccccc1NC(=O)Oc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C16H14F3NO2/c1-2-11-6-3-4-9-14(11)20-15(21)22-13-8-5-7-12(10-13)16(17,18)19/h3-10H,2H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,15,4,16,14,7,18,3,17,13,8,10,19,20,21,22,9,11,12/E:(17,18,19)/rA:22nCCCCCCCCNCOOCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14F3NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.86183
Area:482.874
Solvation:-2.21002
Coulombic:-53.6141
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:309.283
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.63
LogP (Chemaxon):5.43

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