Chemical ID: 5336726

c1ccc(c(c1)OCC(=O)N2CCCCC2)F
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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