Chemical ID: 5155770

Cn1c(nnn1)C(F)(F)F
Chemical ID:
5155770
Name [?]:
1-methyl-5-(trifluoromethyl)tetrazole
SMILES [?]:
Cn1c(nnn1)C(F)(F)F
InChi [?]:
InChI=1/C3H3F3N4/c1-10-2(3(4,5)6)7-8-9-10/h1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,8,9,10,4,5,6,2/E:(4,5,6)/rA:10nCNCNNNCFFF/rB:s1;s2;d3;s4;s2d5;s3;s7;s7;s7;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C3H3F3N4
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.99343
Area:257.089
Solvation:-1.4338
Coulombic:-24.7432
Bond Count [?]
All:10
Single:8
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:152.078
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:-0.46
LogP (Chemaxon):0.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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