Chemical ID: 7465411

Cc1ccc(c(c1)c2cc(on2)C(F)F)O
Chemical ID:
7465411
Name [?]:
2-[5-(difluoromethyl)isoxazol-3-yl]-4-methyl-phenol
SMILES [?]:
Cc1ccc(c(c1)c2cc(on2)C(F)F)O
InChi [?]:
InChI=1/C11H9F2NO2/c1-6-2-3-9(15)7(4-6)8-5-10(11(12)13)16-14-8/h2-5,11,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,9,2,6,8,5,10,13,14,15,12,16,11/E:(12,13)/rA:16nCCCCCCCCCCONCFFO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s13;s5;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9F2NO2
All Atoms:25
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.00731
Area:371.843
Solvation:-4.28876
Coulombic:-30.0204
Bond Count [?]
All:17
Single:12
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:225.192
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.25
LogP (Chemaxon):2.75

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Descriptor Annotations

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