Chemical ID: 4982864

CC[N+]1(CCCCC1)CC(=O)c2ccc(cc2)F
Chemical ID:
4982864
Name [?]:
2-(1-ethyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)-1-(4-fluorophenyl)-ethanone
SMILES [?]:
CC[N+]1(CCCCC1)CC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C15H21FNO/c1-2-17(10-4-3-5-11-17)12-15(18)13-6-8-14(16)9-7-13/h6-9H,2-5,10-12H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,2,6,5,7,13,17,14,16,4,8,9,12,15,10,18,3,11/E:(4,5)(6,7)(8,9)(10,11)/CRV:17+1/rA:18nCCN+CCCCCCCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s3s7;s3;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21FNO+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-18.6003
Area:418.553
Solvation:-29.0641
Coulombic:12.817
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:250.332
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.56
LogP (Chemaxon):-2.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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