Chemical ID: 3997621

CC(=O)c1ccc(c(c1)F)N2CCCC2
Chemical ID:
3997621
Name [?]:
1-(3-fluoro-4-pyrrolidin-1-yl-phenyl)ethanone
SMILES [?]:
CC(=O)c1ccc(c(c1)F)N2CCCC2
InChi [?]:
InChI=1/C12H14FNO/c1-9(15)10-4-5-12(11(13)8-10)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,5,6,12,15,9,2,4,8,7,10,11,3/E:(2,3)(6,7)/rA:15nCCOCCCCCCFNCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s7;s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14FNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.7089
Area:371.898
Solvation:-3.58856
Coulombic:-17.3201
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:207.244
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.74
LogP (Chemaxon):2.08

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Descriptor Annotations

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