Chemical ID: 4179862

c1cc(ccc1OCCN2CCCC2)F
Chemical ID:
4179862
Name [?]:
1-[2-(4-fluorophenoxy)ethyl]pyrrolidine
SMILES [?]:
c1cc(ccc1OCCN2CCCC2)F
InChi [?]:
InChI=1/C12H16FNO/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2
InChi Info:
AuxInfo=1/0/N:12,13,2,4,1,5,11,14,9,8,3,6,15,10,7/E:(1,2)(3,4)(5,6)(7,8)/rA:15nCCCCCCOCCNCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s10s13;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16FNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.98654
Area:385.77
Solvation:-3.65771
Coulombic:-15.6536
Bond Count [?]
All:16
Single:13
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:209.26
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.46
LogP (Chemaxon):2.24

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Descriptor Annotations

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