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Chemical ID: 7532069
Chemical ID:
7532069
Name [?]:
1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol
SMILES [?]:
CC(CNCCCOc1cccc(c1)C(F)(F)F)O
InChi [?]:
InChI=1/C13H18F3NO2/c1-10(18)9-17-6-3-7-19-12-5-2-4-11(8-12)13(14,15)16/h2,4-5,8,10,17-18H,3,6-7,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,6,12,10,5,7,14,3,2,13,9,15,16,17,18,4,19,8/E:(14,15,16)/rA:19cCCCNCCCOCCCCCCCFFFO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;s15;s15;s2;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18F3NO2 |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.16796 |
Area: | 474.553 |
Solvation: | -4.69586 |
Coulombic: | -51.2428 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.59 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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