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Chemical ID: 5124511
Chemical ID:
5124511
Name [?]:
2-[(2-fluorophenyl)methylamino]-2-methyl-propan-1-ol
SMILES [?]:
CC(C)(CO)NCc1ccccc1F
InChi [?]:
InChI=1/C11H16FNO/c1-11(2,8-14)13-7-9-5-3-4-6-10(9)12/h3-6,13-14H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,11,9,12,7,4,8,13,2,14,6,5/E:(1,2)/rA:14nCCCCONCCCCCCCF/rB:s1;s2;s2;s4;s2;s6;s7;s8;d9;s10;d11;d8s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16FNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.34181 |
Area: | 369.643 |
Solvation: | -2.89926 |
Coulombic: | -30.8113 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 197.249 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.86 |
LogP (Chemaxon): | 1.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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