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Chemical ID: 5238483
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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