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Chemical ID: 7027364
Chemical ID:
7027364
Name [?]:
1-(2-fluorophenoxy)-3-(1,1,3,3-tetramethylbutylamino)propan-2-ol
SMILES [?]:
CC(C)(C)CC(C)(C)NCC(COc1ccccc1F)O
InChi [?]:
InChI=1/C17H28FNO2/c1-16(2,3)12-17(4,5)19-10-13(20)11-21-15-9-7-6-8-14(15)18/h6-9,13,19-20H,10-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,17,16,18,15,10,12,5,11,19,14,2,6,20,9,21,13/E:(1,2,3)(4,5)/rA:21cCCCCCCCCNCCCOCCCCCCFO/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H28FNO2 |
All Atoms: | 49 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.36924 |
Area: | 504.607 |
Solvation: | -5.24593 |
Coulombic: | -37.9394 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 297.408 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.38 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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