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Chemical ID: 5336726
Chemical ID:
5336726
Name [?]:
2-(2-fluorophenoxy)-1-(1-piperidyl)ethanone
SMILES [?]:
c1ccc(c(c1)OCC(=O)N2CCCCC2)F
InChi [?]:
InChI=1/C13H16FNO2/c14-11-6-2-3-7-12(11)17-10-13(16)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10H2
InChi Info:
AuxInfo=1/0/N:14,2,1,13,15,3,6,12,16,8,4,5,9,17,11,10,7/E:(4,5)(8,9)/rA:17nCCCCCCOCCONCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16FNO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.24883 |
Area: | 414.025 |
Solvation: | -5.10179 |
Coulombic: | -27.7013 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 237.27 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.28 |
LogP (Chemaxon): | 1.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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