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Chemical ID: 6193932
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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