Chemical ID: 5526292

CC(CNCC(COc1ccccc1F)O)O
Chemical ID:
5526292
Name [?]:
1-[3-(2-fluorophenoxy)-2-hydroxy-propyl]aminopropan-2-ol
SMILES [?]:
CC(CNCC(COc1ccccc1F)O)O
InChi [?]:
InChI=1/C12H18FNO3/c1-9(15)6-14-7-10(16)8-17-12-5-3-2-4-11(12)13/h2-5,9-10,14-16H,6-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,3,5,7,2,6,14,9,15,4,17,16,8/rA:17cCCCNCCCOCCCCCCFOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s6;s2;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18FNO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:3.61803
Area:446.925
Solvation:-7.55509
Coulombic:-52.025
Bond Count [?]
All:17
Single:14
Double:3
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:243.275
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.79
LogP (Chemaxon):1.15

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Descriptor Annotations

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