Chemical ID: 4781388

c1cc(ccc1c2nc(on2)Cc3cc(cc(c3)F)F)C(F)(F)F
Chemical ID:
4781388
Name [?]:
5-[(3,5-difluorophenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILES [?]:
c1cc(ccc1c2nc(on2)Cc3cc(cc(c3)F)F)C(F)(F)F
InChi [?]:
InChI=1/C16H9F5N2O/c17-12-5-9(6-13(18)8-12)7-14-22-15(23-24-14)10-1-3-11(4-2-10)16(19,20)21/h1-6,8H,7H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,14,18,12,16,13,6,3,15,17,9,7,21,20,19,22,23,24,8,11,10/E:(1,2)(3,4)(5,6)(12,13)(17,18)(19,20,21)/rA:24nCCCCCCCNCONCCCCCCCFFCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;d14;s15;d16;d13s17;s17;s15;s3;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9F5N2O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.16388
Area:492.936
Solvation:-4.15952
Coulombic:-38.0233
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:340.248
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.16
LogP (Chemaxon):5.07

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Descriptor Annotations

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