ChemDB: Chemical Search
Download
Chemical ID: 5186615
Chemical ID:
5186615
Name [?]:
1-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanamine
SMILES [?]:
c1ccc(c(c1)CNCc2ccc(cc2)F)F
InChi [?]:
InChI=1/C14H13F2N/c15-13-7-5-11(6-8-13)9-17-10-12-3-1-2-4-14(12)16/h1-8,17H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,15,12,14,9,7,10,5,13,4,16,17,8/E:(5,6)(7,8)/rA:17nCCCCCCCNCCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13F2N |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.47111 |
Area: | 414.067 |
Solvation: | -2.88056 |
Coulombic: | -18.9263 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 233.257 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.63 |
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 |
---|