Chemical ID: 7027366

CC(C)(CO)NCC(COc1ccccc1F)O
Chemical ID:
7027366
Name [?]:
2-[3-(2-fluorophenoxy)-2-hydroxy-propyl]amino-2-methyl-propan-1-ol
SMILES [?]:
CC(C)(CO)NCC(COc1ccccc1F)O
InChi [?]:
InChI=1/C13H20FNO3/c1-13(2,9-16)15-7-10(17)8-18-12-6-4-3-5-11(12)14/h3-6,10,15-17H,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,13,15,12,7,9,4,8,16,11,2,17,6,5,18,10/E:(1,2)/rA:18cCCCCONCCCOCCCCCCFO/rB:s1;s2;s2;s4;s2;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s8;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20FNO3
All Atoms:38
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:5.05994
Area:455.975
Solvation:-6.33943
Coulombic:-53.723
Bond Count [?]
All:18
Single:15
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:257.301
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.21
LogP (Chemaxon):1.23

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue