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2,2,6-trifluoro-1,3-benzodioxol-5-amine

2,2,6-trifluoro-1,3-benzodioxol-5-amine

CAS: 120934-03-4

Formula: C7H4F3NO2

SMILES: NC1=C(F)C=C2OC(F)(F)OC2=C1

IUPAC: 2,2,6-trifluoro-2H-1,3-benzodioxol-5-amine

InChI: InChI=1S/C7H4F3NO2/c8-3-1-5-6(2-4(3)11)13-7(9,10)12-5/h1-2H,11H2

Composition: C (43.99%), H (2.11%), F (29.82%), N (7.33%), O (16.74%)

Molar Mass: 191.109

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 191.019412862
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BDVTVWOEVYKSTM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.81
Topological Polar Surface Area 44.48
Polarizability 13.55
Ring Count 2
Rotatable Bond Count 0

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