Chemical ID: 7114606

Cc1cc(no1)C(F)(F)F
Chemical ID:
7114606
Name [?]:
5-methyl-3-(trifluoromethyl)isoxazole
SMILES [?]:
Cc1cc(no1)C(F)(F)F
InChi [?]:
InChI=1/C5H4F3NO/c1-3-2-4(9-10-3)5(6,7)8/h2H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,2,4,7,8,9,10,5,6/E:(6,7,8)/rA:10nCCCCNOCFFF/rB:s1;d2;s3;d4;s2s5;s4;s7;s7;s7;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H4F3NO
All Atoms:14
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.31925
Area:266.309
Solvation:-2.33848
Coulombic:-21.6739
Bond Count [?]
All:10
Single:8
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:151.087
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.82
LogP (Chemaxon):1.85

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Experimental Annotations

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Descriptor Annotations

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