ChemDB: Chemical Search
Download
Chemical ID: 4179862
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|