Chemical ID: 3964446

CC(C)Oc1cc(ccc1N)F
Chemical ID:
3964446
Name [?]:
4-fluoro-2-isopropoxy-aniline
SMILES [?]:
CC(C)Oc1cc(ccc1N)F
InChi [?]:
InChI=1/C9H12FNO/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,6,2,7,10,5,12,11,4/E:(1,2)/rA:12nCCCOCCCCCCNF/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s7;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12FNO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.55179
Area:324.376
Solvation:-2.5576
Coulombic:-27.924
Bond Count [?]
All:12
Single:9
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:169.196
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.16
LogP (Chemaxon):1.91

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Descriptor Annotations

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