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Chemical ID: 6356983
Chemical ID:
6356983
Name [?]:
(2,6-dimethyl-1-piperidyl)-(3-fluorophenyl)-methanone
SMILES [?]:
CC1CCCC(N1C(=O)c2cccc(c2)F)C
InChi [?]:
InChI=1/C14H18FNO/c1-10-5-3-6-11(2)16(10)14(17)12-7-4-8-13(15)9-12/h4,7-11H,3,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,4,12,3,5,11,13,15,2,6,10,14,8,16,7,9/E:(1,2)(5,6)(10,11)/rA:17cCCCCCCNCOCCCCCCFC/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s6;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18FNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.51604 |
Area: | 395.095 |
Solvation: | -2.36133 |
Coulombic: | -22.0965 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 235.297 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.51 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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