ChemDB: Chemical Search
Download
Chemical ID: 3967382
Chemical ID:
3967382
Name [?]:
[2,8-bis(trifluoromethyl)-4-quinolyl]-(2-piperidyl)methanol
SMILES [?]:
c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)C(C3CCCCN3)O
InChi [?]:
InChI=1/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2
InChi Info:
AuxInfo=1/0/N:22,23,1,2,10,21,24,5,3,4,9,20,6,8,19,11,15,12,13,14,16,17,18,25,7,26/E:(18,19,20)(21,22,23)/rA:26cCCCCCCNCCCCFFFCFFFCCCCCCNO/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s11;s11;s11;s6;s15;s15;s15;s4;s19;s20;s21;s22;s23;s20s24;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16F6N2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.40007 |
Area: | 490.765 |
Solvation: | -3.86904 |
Coulombic: | -69.9392 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 378.312 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.87 |
LogP (Chemaxon): | 4.25 |
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 |
---|