Chemical ID: 5238483

c1ccc2c(c1)CCC3=C2N4CCCC4OC3C(F)(F)F
Chemical ID:
5238483
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CCC3=C2N4CCCC4OC3C(F)(F)F
InChi [?]:
InChI=1/C16H16F3NO/c17-16(18,19)15-12-8-7-10-4-1-2-5-11(10)14(12)20-9-3-6-13(20)21-15/h1-2,4-5,13,15H,3,6-9H2
InChi Info:
AuxInfo=1/0/N:1,2,13,6,3,14,7,8,12,5,4,9,15,10,17,18,19,20,21,11,16/E:(17,18,19)/rA:21cCCCCCCCCCCNCCCCOCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4d9;s10;s11;s12;s13;s11s14;s15;s9s16;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16F3NO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:7.36091
Area:415.078
Solvation:-3.01604
Coulombic:-34.8781
Bond Count [?]
All:24
Single:20
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:295.3
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.6
LogP (Chemaxon):2.82

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Experimental Annotations

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Descriptor Annotations

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