Chemical ID: 3967382

c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)C(C3CCCCN3)O
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

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Descriptor Annotations

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