Chemical ID: 7201317

CC(C)(C)CC(C)(C)[NH2+]CC(COc1ccc(cc1)F)O
Chemical ID:
7201317
Name [?]:
[3-(4-fluorophenoxy)-2-hydroxy-propyl]-(1,1,3,3-tetramethylbutyl)ammonium
SMILES [?]:
CC(C)(C)CC(C)(C)[NH2+]CC(COc1ccc(cc1)F)O
InChi [?]:
InChI=1/C17H28FNO2/c1-16(2,3)12-17(4,5)19-10-14(20)11-21-15-8-6-13(18)7-9-15/h6-9,14,19-20H,10-12H2,1-5H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,4,7,8,16,18,15,19,10,12,5,17,11,14,2,6,20,9,21,13/E:(1,2,3)(4,5)(6,7)(8,9)/rA:21cCCCCCCCCN+CCCOCCCCCCFO/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s17;s11;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29FNO2+
All Atoms:50
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:-21.4317
Area:505.337
Solvation:-34.0651
Coulombic:7.24762
Bond Count [?]
All:21
Single:18
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:298.416
H-Bond Donors:3
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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