Chemical ID: 5253827

c1([nH][nH]c(=N)n1)C(F)(F)F
Chemical ID:
5253827
Name [?]:
5-(trifluoromethyl)-1,2-dihydro-1,2,4-triazol-3-imine
SMILES [?]:
c1([nH][nH]c(=N)n1)C(F)(F)F
InChi [?]:
InChI=1/C3H3F3N4/c4-3(5,6)1-8-2(7)10-9-1/h(H3,7,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,4,7,8,9,10,5,6,2,3/E:(4,5,6)/rA:10nCNNCNNCFFF/rB:s1;s2;s3;w4;d1s4;s1;s7;s7;s7;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C3H3F3N4
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.67486
Area:261.886
Solvation:-1.8723
Coulombic:-55.4974
Bond Count [?]
All:10
Single:8
Double:2
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:152.078
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:0.59
LogP (Chemaxon):0.65

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Descriptor Annotations

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