Chemical ID: 7245463

COc1cc(ccc1OC(F)F)CN
Chemical ID:
7245463
Name [?]:
[4-(difluoromethoxy)-3-methoxy-phenyl]methanamine
SMILES [?]:
COc1cc(ccc1OC(F)F)CN
InChi [?]:
InChI=1/C9H11F2NO2/c1-13-8-4-6(5-12)2-3-7(8)14-9(10)11/h2-4,9H,5,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,4,13,5,8,3,10,11,12,14,2,9/E:(10,11)/rA:14nCOCCCCCCOCFFCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s10;s5;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11F2NO2
All Atoms:25
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:4.30372
Area:347.461
Solvation:-4.38282
Coulombic:-39.1169
Bond Count [?]
All:14
Single:11
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:203.186
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.42
LogP (Chemaxon):1.51

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Descriptor Annotations

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