Chemical ID: 7532069

CC(CNCCCOc1cccc(c1)C(F)(F)F)O
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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