Chemical ID: 6690342

c1cc(cc(c1)I)OC(F)(F)F
Chemical ID:
6690342
Name [?]:
1-iodo-3-(trifluoromethoxy)benzene
SMILES [?]:
c1cc(cc(c1)I)OC(F)(F)F
InChi [?]:
InChI=1/C7H4F3IO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H
InChi Info:
AuxInfo=1/0/N:1,6,2,4,5,3,9,10,11,12,7,8/E:(8,9,10)/rA:12nCCCCCCIOCFFF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s9;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4F3IO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.20701
Area:321.175
Solvation:-0.822373
Coulombic:-33.4289
Bond Count [?]
All:12
Single:9
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:288.006
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.26
LogP (Chemaxon):3.69

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Descriptor Annotations

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