Chemical ID: 6193932

CC1CCCCN1CC(COc2c(cc(cc2F)Br)F)O
Chemical ID:
6193932
Name [?]:
1-(4-bromo-2,6-difluoro-phenoxy)-3-(2-methyl-1-piperidyl)-propan-2-ol
SMILES [?]:
CC1CCCCN1CC(COc2c(cc(cc2F)Br)F)O
InChi [?]:
InChI=1/C15H20BrF2NO2/c1-10-4-2-3-5-19(10)8-12(20)9-21-15-13(17)6-11(16)7-14(15)18/h6-7,10,12,20H,2-5,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,14,16,8,10,2,15,9,13,17,12,19,20,18,7,21,11/E:(6,7)(13,14)(17,18)/rA:21cCCCCCCNCCCOCCCCCCFBrFO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s13;s9;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20BrF2NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:6.32668
Area:496.537
Solvation:-6.08675
Coulombic:-35.6914
Bond Count [?]
All:22
Single:19
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:364.226
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.56
LogP (Chemaxon):3.61

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